3-[[(5-Carboxypentyl)amino]carbonyl]-3-hydroxypentanedioic Acid - CAS 1675217-43-2

Catalog:	BB070553
Product Name:	3-[[(5-Carboxypentyl)amino]carbonyl]-3-hydroxypentanedioic Acid
CAS:	1675217-43-2
Synonyms:	3-((5-Carboxypentyl)carbamoyl)-3-hydroxypentanedioic acid

Technical Data

IUPAC Name:	3-(5-carboxypentylcarbamoyl)-3-hydroxypentanedioic acid
Description:	3-[[(5-Carboxypentyl)amino]carbonyl]-3-hydroxypentanedioic Acid is derived from Methyl 6-Aminohexanoate Hydrochloride (M287100), which is used as a reagent to synthesize straight chain hydroxamates, compounds that act as inhibitors of Human Histone Deacetylase (HDAC) that have the potential to treat cancer. Methyl 6-aminohexanoate is also sometimes used as a spacer unit for peptide synthesis.
Molecular Weight:	305.28
Molecular Formula:	C12H19NO8
Canonical SMILES:	C(CCC(=O)O)CCNC(=O)C(CC(=O)O)(CC(=O)O)O
InChI:	InChI=1S/C12H19NO8/c14-8(15)4-2-1-3-5-13-11(20)12(21,6-9(16)17)7-10(18)19/h21H,1-7H2,(H,13,20)(H,14,15)(H,16,17)(H,18,19)
InChI Key:	DJHWYMGWGXIECB-UHFFFAOYSA-N
Melting Point:	132 - 136°C
Solubility:	Methanol (Slightly), Water (Slightly)
Appearance:	White to Off-White Solid
Storage:	4°C, Hygroscopic
References:	Matthews, S., et al. J. Chem. Soc. Chem. Commun., 17, 1809 (1995); Remiszewski, S., et al. J. Med. Chem., 45, 753 (2002).

Complexity:	390
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	305.11106656
Formal Charge:	0
Heavy Atom Count:	21
Hydrogen Bond Acceptor Count:	8
Hydrogen Bond Donor Count:	5
Isotope Atom Count:	0
Monoisotopic Mass:	305.11106656
Rotatable Bond Count:	11
Topological Polar Surface Area:	161Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.7