(2R)-2-[[2-[(4-chlorobenzoyl)amino]acetyl]amino]-3-hydroxypropanoic acid

C12H13ClN2O5 — CID 80749551

IUPAC(2R)-2-[[2-[(4-chlorobenzoyl)amino]acetyl]amino]-3-hydroxypropanoic acid
SMILESO=C(CNC(=O)c1ccc(Cl)cc1)N[C@H](CO)C(=O)O
InChIInChI=1S/C12H13ClN2O5/c13-8-3-1-7(2-4-8)11(18)14-5-10(17)15-9(6-16)12(19)20/h1-4,9,16H,5-6H2,(H,14,18)(H,15,17)(H,19,20)/t9-/m1/s1
InChIKeyCVKFLMONEZMMRR-SECBINFHSA-N
MW300.70 g/mol
LogP-0.37
Rot. Bonds6

About (2R)-2-[[2-[(4-chlorobenzoyl)amino]acetyl]amino]-3-hydroxypropanoic acid

(2R)-2-[[2-[(4-chlorobenzoyl)amino]acetyl]amino]-3-hydroxypropanoic acid (PubChem CID 80749551) has the molecular formula C12H13ClN2O5 and a molecular weight of 300.70 g/mol. Its IUPAC name is (2R)-2-[[2-[(4-chlorobenzoyl)amino]acetyl]amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-[(4-chlorobenzoyl)amino]acetyl]amino]-3-hydroxypropanoic acid
PubChem CID80749551
Molecular FormulaC12H13ClN2O5
Molecular Weight300.70 g/mol
Exact Mass300.05
IUPAC Name(2R)-2-[[2-[(4-chlorobenzoyl)amino]acetyl]amino]-3-hydroxypropanoic acid
SMILESO=C(CNC(=O)c1ccc(Cl)cc1)N[C@H](CO)C(=O)O
InChIInChI=1S/C12H13ClN2O5/c13-8-3-1-7(2-4-8)11(18)14-5-10(17)15-9(6-16)12(19)20/h1-4,9,16H,5-6H2,(H,14,18)(H,15,17)(H,19,20)/t9-/m1/s1
InChIKeyCVKFLMONEZMMRR-SECBINFHSA-N
XLogP-0.37
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.70
LogP ≤ 5-0.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[[2-[(4-chlorobenzoyl)amino]acetyl]amino]-3-hydroxypropanoic acid with MolForge

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Related Compounds

(2R)-2-[[2-[(4-aminobenzoyl)amino]acetyl]amino]-3-hydroxypropanoic acid
CID 80751377
2-[(2,5-dichlorobenzoyl)amino]-3-hydroxypropanoic acid
CID 43184020
N-[2-(butan-2-ylamino)-2-oxoethyl]-4-chlorobenzamide
CID 60634738
4-chloro-N-(2-hydrazinyl-2-oxoethyl)benzamide
CID 792434
(2S)-2-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-hydroxypropanoic acid
CID 61153204
2-[[2-[(3-chlorobenzoyl)amino]acetyl]amino]-4-hydroxybutanoic acid
CID 61244023
N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-4-chlorobenzamide
CID 9414874
2-[[2-[(4-aminobenzoyl)amino]acetyl]amino]butanoic acid
CID 61161200
(2S)-2-[[2-[(4-hydroxybenzoyl)amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 54193828
2-[(4-chlorobenzoyl)amino]acetyl chloride
CID 14545092
(2S)-2-[(3-chlorobenzoyl)amino]-3-hydroxypropanoic acid
CID 23793307
2-[(3-chlorobenzoyl)amino]-3-hydroxypropanoic acid
CID 4135322

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-[(4-chlorobenzoyl)amino]acetyl]amino]-3-hydroxypropanoic acid?
The IUPAC name of (2R)-2-[[2-[(4-chlorobenzoyl)amino]acetyl]amino]-3-hydroxypropanoic acid (CID 80749551) is (2R)-2-[[2-[(4-chlorobenzoyl)amino]acetyl]amino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2R)-2-[[2-[(4-chlorobenzoyl)amino]acetyl]amino]-3-hydroxypropanoic acid?
The canonical SMILES for (2R)-2-[[2-[(4-chlorobenzoyl)amino]acetyl]amino]-3-hydroxypropanoic acid is O=C(CNC(=O)c1ccc(Cl)cc1)N[C@H](CO)C(=O)O.
What is the InChIKey of (2R)-2-[[2-[(4-chlorobenzoyl)amino]acetyl]amino]-3-hydroxypropanoic acid?
The InChIKey is CVKFLMONEZMMRR-SECBINFHSA-N. The full InChI is InChI=1S/C12H13ClN2O5/c13-8-3-1-7(2-4-8)11(18)14-5-10(17)15-9(6-16)12(19)20/h1-4,9,16H,5-6H2,(H,14,18)(H,15,17)(H,19,20)/t9-/m1/s1.
What are the key properties of (2R)-2-[[2-[(4-chlorobenzoyl)amino]acetyl]amino]-3-hydroxypropanoic acid?
(2R)-2-[[2-[(4-chlorobenzoyl)amino]acetyl]amino]-3-hydroxypropanoic acid has a molecular weight of 300.70 g/mol, XLogP of -0.37, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-[(4-chlorobenzoyl)amino]acetyl]amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 80749551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).