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

C9H9ClN2O3 — CID 43714080

IUPAC5-[(2-aminoacetyl)amino]-2-chlorobenzoic acid
SMILESNCC(=O)Nc1ccc(Cl)c(C(=O)O)c1
InChIInChI=1S/C9H9ClN2O3/c10-7-2-1-5(12-8(13)4-11)3-6(7)9(14)15/h1-3H,4,11H2,(H,12,13)(H,14,15)
InChIKeyWMIIMQRGLJJNTQ-UHFFFAOYSA-N
MW228.63 g/mol
LogP0.94
Rot. Bonds3

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

5-[(2-aminoacetyl)amino]-2-chlorobenzoic acid (PubChem CID 43714080) has the molecular formula C9H9ClN2O3 and a molecular weight of 228.63 g/mol. Its IUPAC name is 5-[(2-aminoacetyl)amino]-2-chlorobenzoic acid.

Molecular Properties

Compound Name5-[(2-aminoacetyl)amino]-2-chlorobenzoic acid
PubChem CID43714080
Molecular FormulaC9H9ClN2O3
Molecular Weight228.63 g/mol
Exact Mass228.03
IUPAC Name5-[(2-aminoacetyl)amino]-2-chlorobenzoic acid
SMILESNCC(=O)Nc1ccc(Cl)c(C(=O)O)c1
InChIInChI=1S/C9H9ClN2O3/c10-7-2-1-5(12-8(13)4-11)3-6(7)9(14)15/h1-3H,4,11H2,(H,12,13)(H,14,15)
InChIKeyWMIIMQRGLJJNTQ-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

5-(6-aminohexanoylamino)-2-chlorobenzoic acid
CID 43714090
2-chloro-5-(3-chloropropanoylamino)benzoic acid
CID 43701853
5-[(6-amino-4,4-dimethylhexanoyl)amino]-2-chlorobenzoic acid
CID 65290954
5-[(2-anilinoacetyl)amino]-2-chlorobenzoic acid
CID 60861944
5-[(2-aminoacetyl)amino]-2-chloro-N-cyclopropylbenzamide;hydrochloride
CID 119283832
2-chloro-5-[3-(ethylamino)propanoylamino]benzoic acid
CID 62834522
5-[[2-(4-aminobenzoyl)oxyacetyl]amino]-2-chlorobenzoic acid
CID 23887618
2-chloro-5-[[2-(2-methylphenyl)acetyl]amino]benzoic acid
CID 60748562
N-[3-[(2-aminoacetyl)amino]-4-chlorophenyl]-2-phenylacetamide
CID 39184468
2-chloro-5-[3-(propan-2-ylamino)propanoylamino]benzoic acid
CID 60854719
2-chloro-5-[[2-(cyclopentylamino)acetyl]amino]benzoic acid
CID 60851750
5-[[2-(2-carboxyphenyl)sulfanylacetyl]amino]-2-chlorobenzoic acid
CID 5303183

Frequently Asked Questions

What is the IUPAC name of 5-[(2-aminoacetyl)amino]-2-chlorobenzoic acid?
The IUPAC name of 5-[(2-aminoacetyl)amino]-2-chlorobenzoic acid (CID 43714080) is 5-[(2-aminoacetyl)amino]-2-chlorobenzoic acid.
What is the SMILES notation for 5-[(2-aminoacetyl)amino]-2-chlorobenzoic acid?
The canonical SMILES for 5-[(2-aminoacetyl)amino]-2-chlorobenzoic acid is NCC(=O)Nc1ccc(Cl)c(C(=O)O)c1.
What is the InChIKey of 5-[(2-aminoacetyl)amino]-2-chlorobenzoic acid?
The InChIKey is WMIIMQRGLJJNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O3/c10-7-2-1-5(12-8(13)4-11)3-6(7)9(14)15/h1-3H,4,11H2,(H,12,13)(H,14,15).
What are the key properties of 5-[(2-aminoacetyl)amino]-2-chlorobenzoic acid?
5-[(2-aminoacetyl)amino]-2-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 5-[(2-aminoacetyl)amino]-2-chlorobenzoic acid is sourced from PubChem (CID 43714080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).