2-[(2-aminoacetyl)amino]-3-methylbenzoic acid

C10H12N2O3 — CID 69328399

IUPAC2-[(2-aminoacetyl)amino]-3-methylbenzoic acid
SMILESCc1cccc(C(=O)O)c1NC(=O)CN
InChIInChI=1S/C10H12N2O3/c1-6-3-2-4-7(10(14)15)9(6)12-8(13)5-11/h2-4H,5,11H2,1H3,(H,12,13)(H,14,15)
InChIKeyWQRVPRAVEXWRTP-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.59
Rot. Bonds3

About 2-[(2-aminoacetyl)amino]-3-methylbenzoic acid

2-[(2-aminoacetyl)amino]-3-methylbenzoic acid (PubChem CID 69328399) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-[(2-aminoacetyl)amino]-3-methylbenzoic acid.

Molecular Properties

Compound Name2-[(2-aminoacetyl)amino]-3-methylbenzoic acid
PubChem CID69328399
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name2-[(2-aminoacetyl)amino]-3-methylbenzoic acid
SMILESCc1cccc(C(=O)O)c1NC(=O)CN
InChIInChI=1S/C10H12N2O3/c1-6-3-2-4-7(10(14)15)9(6)12-8(13)5-11/h2-4H,5,11H2,1H3,(H,12,13)(H,14,15)
InChIKeyWQRVPRAVEXWRTP-UHFFFAOYSA-N
XLogP0.59
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-[[2-(4-methylphenyl)acetyl]amino]benzoic acid
CID 43235606
2-[(2-cyclopropylacetyl)amino]-3-methylbenzoic acid
CID 43358339
3-methyl-2-[(2-propan-2-ylsulfanylacetyl)amino]benzoic acid
CID 43171851
2-(hexadecanoylamino)-3-methylbenzoic acid
CID 12800042
2-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-3-methylbenzoic acid
CID 43358371
2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-bromobenzoic acid
CID 63113236
3-methyl-2-(propylcarbamoylamino)benzoic acid
CID 28785842
2-(benzylcarbamoylamino)-3-methylbenzoic acid
CID 61182875
2-[3-(furan-2-yl)propanoylamino]-3-methylbenzoic acid
CID 28778668
3-methyl-2-[3-(5-methylfuran-2-yl)propanoylamino]benzoic acid
CID 6489244
2-amino-N-[2,6-bis(trideuteriomethyl)phenyl]acetamide;hydrochloride
CID 162641599
2-[(5-amino-5-oxopentyl)carbamoylamino]-3-methylbenzoic acid
CID 106238863

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminoacetyl)amino]-3-methylbenzoic acid?
The IUPAC name of 2-[(2-aminoacetyl)amino]-3-methylbenzoic acid (CID 69328399) is 2-[(2-aminoacetyl)amino]-3-methylbenzoic acid.
What is the SMILES notation for 2-[(2-aminoacetyl)amino]-3-methylbenzoic acid?
The canonical SMILES for 2-[(2-aminoacetyl)amino]-3-methylbenzoic acid is Cc1cccc(C(=O)O)c1NC(=O)CN.
What is the InChIKey of 2-[(2-aminoacetyl)amino]-3-methylbenzoic acid?
The InChIKey is WQRVPRAVEXWRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-6-3-2-4-7(10(14)15)9(6)12-8(13)5-11/h2-4H,5,11H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-[(2-aminoacetyl)amino]-3-methylbenzoic acid?
2-[(2-aminoacetyl)amino]-3-methylbenzoic acid has a molecular weight of 208.22 g/mol, XLogP of 0.59, 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]-3-methylbenzoic acid is sourced from PubChem (CID 69328399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).