4-[[(2R)-2-aminopropanoyl]amino]-2-chlorobenzoic acid

C10H11ClN2O3 — CID 78973494

IUPAC4-[[(2R)-2-aminopropanoyl]amino]-2-chlorobenzoic acid
SMILESC[C@@H](N)C(=O)Nc1ccc(C(=O)O)c(Cl)c1
InChIInChI=1S/C10H11ClN2O3/c1-5(12)9(14)13-6-2-3-7(10(15)16)8(11)4-6/h2-5H,12H2,1H3,(H,13,14)(H,15,16)/t5-/m1/s1
InChIKeyBNOPVAIBCPRSPB-RXMQYKEDSA-N
MW242.66 g/mol
LogP1.32
Rot. Bonds3

About 4-[[(2R)-2-aminopropanoyl]amino]-2-chlorobenzoic acid

4-[[(2R)-2-aminopropanoyl]amino]-2-chlorobenzoic acid (PubChem CID 78973494) has the molecular formula C10H11ClN2O3 and a molecular weight of 242.66 g/mol. Its IUPAC name is 4-[[(2R)-2-aminopropanoyl]amino]-2-chlorobenzoic acid.

Molecular Properties

Compound Name4-[[(2R)-2-aminopropanoyl]amino]-2-chlorobenzoic acid
PubChem CID78973494
Molecular FormulaC10H11ClN2O3
Molecular Weight242.66 g/mol
Exact Mass242.05
IUPAC Name4-[[(2R)-2-aminopropanoyl]amino]-2-chlorobenzoic acid
SMILESC[C@@H](N)C(=O)Nc1ccc(C(=O)O)c(Cl)c1
InChIInChI=1S/C10H11ClN2O3/c1-5(12)9(14)13-6-2-3-7(10(15)16)8(11)4-6/h2-5H,12H2,1H3,(H,13,14)(H,15,16)/t5-/m1/s1
InChIKeyBNOPVAIBCPRSPB-RXMQYKEDSA-N
XLogP1.32
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.66
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[(2S)-2-aminopropanoyl]amino]-2-chlorobenzoate
CID 119329500
2-amino-N-(3-chloro-4-methylphenyl)propanamide
CID 24694047
(2S)-2-amino-N-(3,4-dichlorophenyl)propanamide
CID 22690595
4-[[(2S)-2-amino-3-methylpentanoyl]amino]-2-chlorobenzoic acid
CID 61399074
4-(3-aminobutanoylamino)-2-chlorobenzoic acid
CID 61399027
4-(2-aminopentanoylamino)-2-chlorobenzoic acid
CID 61399026
2-chloro-4-[(3-methoxy-2-methylpropanoyl)amino]benzoic acid
CID 119178957
4-[(5-amino-2-methylpentanoyl)amino]-2-chlorobenzoic acid
CID 112547679
4-[(2-acetamido-3-methylbutanoyl)amino]-2-chlorobenzoic acid
CID 61398318
(2S)-2-amino-N-(3-chloro-4-methylsulfanylphenyl)propanamide
CID 119317108
2-chloro-5-(2-hydroxypropanoylamino)benzoic acid
CID 83768315
2-chloro-5-(2-chloropropanoylamino)benzoic acid
CID 43701854

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2-aminopropanoyl]amino]-2-chlorobenzoic acid?
The IUPAC name of 4-[[(2R)-2-aminopropanoyl]amino]-2-chlorobenzoic acid (CID 78973494) is 4-[[(2R)-2-aminopropanoyl]amino]-2-chlorobenzoic acid.
What is the SMILES notation for 4-[[(2R)-2-aminopropanoyl]amino]-2-chlorobenzoic acid?
The canonical SMILES for 4-[[(2R)-2-aminopropanoyl]amino]-2-chlorobenzoic acid is C[C@@H](N)C(=O)Nc1ccc(C(=O)O)c(Cl)c1.
What is the InChIKey of 4-[[(2R)-2-aminopropanoyl]amino]-2-chlorobenzoic acid?
The InChIKey is BNOPVAIBCPRSPB-RXMQYKEDSA-N. The full InChI is InChI=1S/C10H11ClN2O3/c1-5(12)9(14)13-6-2-3-7(10(15)16)8(11)4-6/h2-5H,12H2,1H3,(H,13,14)(H,15,16)/t5-/m1/s1.
What are the key properties of 4-[[(2R)-2-aminopropanoyl]amino]-2-chlorobenzoic acid?
4-[[(2R)-2-aminopropanoyl]amino]-2-chlorobenzoic acid has a molecular weight of 242.66 g/mol, XLogP of 1.32, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2-aminopropanoyl]amino]-2-chlorobenzoic acid is sourced from PubChem (CID 78973494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).