(2R,3R)-2,3-bis[(2-chlorobenzoyl)oxy]-4-oxo-4-(pyridin-2-ylmethylamino)butanoic acid

C24H18Cl2N2O7 — CID 126386032

IUPAC(2R,3R)-2,3-bis[(2-chlorobenzoyl)oxy]-4-oxo-4-(pyridin-2-ylmethylamino)butanoic acid
SMILESO=C(O[C@@H](C(=O)O)[C@@H](OC(=O)c1ccccc1Cl)C(=O)NCc1ccccn1)c1ccccc1Cl
InChIInChI=1S/C24H18Cl2N2O7/c25-17-10-3-1-8-15(17)23(32)34-19(21(29)28-13-14-7-5-6-12-27-14)20(22(30)31)35-24(33)16-9-2-4-11-18(16)26/h1-12,19-20H,13H2,(H,28,29)(H,30,31)/t19-,20-/m1/s1
InChIKeyGZXMQWBHHNVOHF-WOJBJXKFSA-N
MW517.32 g/mol
LogP3.54
Rot. Bonds9

About (2R,3R)-2,3-bis[(2-chlorobenzoyl)oxy]-4-oxo-4-(pyridin-2-ylmethylamino)butanoic acid

(2R,3R)-2,3-bis[(2-chlorobenzoyl)oxy]-4-oxo-4-(pyridin-2-ylmethylamino)butanoic acid (PubChem CID 126386032) has the molecular formula C24H18Cl2N2O7 and a molecular weight of 517.32 g/mol. Its IUPAC name is (2R,3R)-2,3-bis[(2-chlorobenzoyl)oxy]-4-oxo-4-(pyridin-2-ylmethylamino)butanoic acid.

Molecular Properties

Compound Name(2R,3R)-2,3-bis[(2-chlorobenzoyl)oxy]-4-oxo-4-(pyridin-2-ylmethylamino)butanoic acid
PubChem CID126386032
Molecular FormulaC24H18Cl2N2O7
Molecular Weight517.32 g/mol
Exact Mass516.05
IUPAC Name(2R,3R)-2,3-bis[(2-chlorobenzoyl)oxy]-4-oxo-4-(pyridin-2-ylmethylamino)butanoic acid
SMILESO=C(O[C@@H](C(=O)O)[C@@H](OC(=O)c1ccccc1Cl)C(=O)NCc1ccccn1)c1ccccc1Cl
InChIInChI=1S/C24H18Cl2N2O7/c25-17-10-3-1-8-15(17)23(32)34-19(21(29)28-13-14-7-5-6-12-27-14)20(22(30)31)35-24(33)16-9-2-4-11-18(16)26/h1-12,19-20H,13H2,(H,28,29)(H,30,31)/t19-,20-/m1/s1
InChIKeyGZXMQWBHHNVOHF-WOJBJXKFSA-N
XLogP3.54
TPSA131.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.32
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2R,3R)-2,3-bis[(2-chlorobenzoyl)oxy]-4-oxo-4-(pyridin-2-ylmethylamino)butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3S)-2,3-dibenzoyloxy-4-oxo-4-(pyridin-2-ylmethylamino)butanoic acid
CID 41302288
(2R,3S)-2,3-bis[(4-methylbenzoyl)oxy]-4-oxo-4-(pyridin-2-ylmethylamino)butanoic acid
CID 41301905
(2S,3R)-4-oxo-4-(pyridin-2-ylmethylamino)-2,3-bis[[3-(trifluoromethyl)benzoyl]oxy]butanoic acid
CID 126374706
(2R,3R)-2,3-bis[(2-chlorobenzoyl)oxy]-4-[(6-methoxypyridazin-3-yl)amino]-4-oxobutanoic acid
CID 126387433
2,3-dichloro-N-(pyridin-2-ylmethyl)benzamide
CID 1247422
(2R,3S)-2,3-bis[(2-chlorobenzoyl)oxy]-4-(2-methylanilino)-4-oxobutanoic acid
CID 126387815
(2S,3S)-2,3-bis[(2-chlorobenzoyl)oxy]-4-(4-methylanilino)-4-oxobutanoic acid
CID 126386393
(2S,3R)-2,3-bis[(2-chlorobenzoyl)oxy]-4-(2-methoxycarbonylanilino)-4-oxobutanoic acid
CID 126384546
(2S,3R)-2,3-bis[(2-chlorobenzoyl)oxy]-4-(4-iodoanilino)-4-oxobutanoic acid
CID 126385192
(2S,3R)-2,3-bis[(2-chlorobenzoyl)oxy]-4-(4-fluoroanilino)-4-oxobutanoic acid
CID 126388708
(2R,3R)-2,3-bis[(2-chlorobenzoyl)oxy]-4-[2-(naphthalene-1-carbonyl)hydrazinyl]-4-oxobutanoic acid
CID 126385689
(2S,3S)-2,3-bis[(2-chlorobenzoyl)oxy]-4-[2-(naphthalene-1-carbonyl)hydrazinyl]-4-oxobutanoic acid
CID 126385691

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-bis[(2-chlorobenzoyl)oxy]-4-oxo-4-(pyridin-2-ylmethylamino)butanoic acid?
The IUPAC name of (2R,3R)-2,3-bis[(2-chlorobenzoyl)oxy]-4-oxo-4-(pyridin-2-ylmethylamino)butanoic acid (CID 126386032) is (2R,3R)-2,3-bis[(2-chlorobenzoyl)oxy]-4-oxo-4-(pyridin-2-ylmethylamino)butanoic acid.
What is the SMILES notation for (2R,3R)-2,3-bis[(2-chlorobenzoyl)oxy]-4-oxo-4-(pyridin-2-ylmethylamino)butanoic acid?
The canonical SMILES for (2R,3R)-2,3-bis[(2-chlorobenzoyl)oxy]-4-oxo-4-(pyridin-2-ylmethylamino)butanoic acid is O=C(O[C@@H](C(=O)O)[C@@H](OC(=O)c1ccccc1Cl)C(=O)NCc1ccccn1)c1ccccc1Cl.
What is the InChIKey of (2R,3R)-2,3-bis[(2-chlorobenzoyl)oxy]-4-oxo-4-(pyridin-2-ylmethylamino)butanoic acid?
The InChIKey is GZXMQWBHHNVOHF-WOJBJXKFSA-N. The full InChI is InChI=1S/C24H18Cl2N2O7/c25-17-10-3-1-8-15(17)23(32)34-19(21(29)28-13-14-7-5-6-12-27-14)20(22(30)31)35-24(33)16-9-2-4-11-18(16)26/h1-12,19-20H,13H2,(H,28,29)(H,30,31)/t19-,20-/m1/s1.
What are the key properties of (2R,3R)-2,3-bis[(2-chlorobenzoyl)oxy]-4-oxo-4-(pyridin-2-ylmethylamino)butanoic acid?
(2R,3R)-2,3-bis[(2-chlorobenzoyl)oxy]-4-oxo-4-(pyridin-2-ylmethylamino)butanoic acid has a molecular weight of 517.32 g/mol, XLogP of 3.54, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3-bis[(2-chlorobenzoyl)oxy]-4-oxo-4-(pyridin-2-ylmethylamino)butanoic acid is sourced from PubChem (CID 126386032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).