2-[(2-aminoacetyl)amino]-5-chlorobenzoic acid

C9H9ClN2O3 — CID 61158198

IUPAC2-[(2-aminoacetyl)amino]-5-chlorobenzoic acid
SMILESNCC(=O)Nc1ccc(Cl)cc1C(=O)O
InChIInChI=1S/C9H9ClN2O3/c10-5-1-2-7(12-8(13)4-11)6(3-5)9(14)15/h1-3H,4,11H2,(H,12,13)(H,14,15)
InChIKeySOHLEIBBXFHYGU-UHFFFAOYSA-N
MW228.63 g/mol
LogP0.94
Rot. Bonds3

About 2-[(2-aminoacetyl)amino]-5-chlorobenzoic acid

2-[(2-aminoacetyl)amino]-5-chlorobenzoic acid (PubChem CID 61158198) has the molecular formula C9H9ClN2O3 and a molecular weight of 228.63 g/mol. Its IUPAC name is 2-[(2-aminoacetyl)amino]-5-chlorobenzoic acid.

Molecular Properties

Compound Name2-[(2-aminoacetyl)amino]-5-chlorobenzoic acid
PubChem CID61158198
Molecular FormulaC9H9ClN2O3
Molecular Weight228.63 g/mol
Exact Mass228.03
IUPAC Name2-[(2-aminoacetyl)amino]-5-chlorobenzoic acid
SMILESNCC(=O)Nc1ccc(Cl)cc1C(=O)O
InChIInChI=1S/C9H9ClN2O3/c10-5-1-2-7(12-8(13)4-11)6(3-5)9(14)15/h1-3H,4,11H2,(H,12,13)(H,14,15)
InChIKeySOHLEIBBXFHYGU-UHFFFAOYSA-N
XLogP0.94
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.63
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-amino-2-methylpropanoyl)amino]-5-chlorobenzoic acid
CID 55104752
2-[(2-aminoacetyl)amino]-5-(trifluoromethyl)benzoic acid
CID 66270672
2-amino-N-[4-chloro-2-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]acetamide
CID 69229535
2-[[2-(4-bromophenoxy)acetyl]amino]-5-chlorobenzoic acid
CID 1026108
2-(3-aminopropanoylamino)-5-hydroxybenzoic acid
CID 61405791
N-[2-[(2-aminoacetyl)amino]-4-chlorophenyl]-4-chlorobenzamide
CID 39192788
2-[(4-aminobenzoyl)amino]-5-chlorobenzoic acid
CID 61158573
2-[(2-aminophenyl)carbamoylamino]-5-chlorobenzoic acid
CID 61404300
5-chloro-2-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzoic acid
CID 2233863
5-chloro-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]benzoic acid
CID 79140170
5-chloro-2-(2,2,2-trifluoroethoxycarbonylamino)benzoic acid
CID 61170588
5-chloro-2-(methylcarbamothioylamino)benzoic acid
CID 91687135

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminoacetyl)amino]-5-chlorobenzoic acid?
The IUPAC name of 2-[(2-aminoacetyl)amino]-5-chlorobenzoic acid (CID 61158198) is 2-[(2-aminoacetyl)amino]-5-chlorobenzoic acid.
What is the SMILES notation for 2-[(2-aminoacetyl)amino]-5-chlorobenzoic acid?
The canonical SMILES for 2-[(2-aminoacetyl)amino]-5-chlorobenzoic acid is NCC(=O)Nc1ccc(Cl)cc1C(=O)O.
What is the InChIKey of 2-[(2-aminoacetyl)amino]-5-chlorobenzoic acid?
The InChIKey is SOHLEIBBXFHYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O3/c10-5-1-2-7(12-8(13)4-11)6(3-5)9(14)15/h1-3H,4,11H2,(H,12,13)(H,14,15).
What are the key properties of 2-[(2-aminoacetyl)amino]-5-chlorobenzoic acid?
2-[(2-aminoacetyl)amino]-5-chlorobenzoic acid has a molecular weight of 228.63 g/mol, XLogP of 0.94, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminoacetyl)amino]-5-chlorobenzoic acid is sourced from PubChem (CID 61158198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).