2-(4-carbamoyl-N-cyclopropyl-3-methylanilino)acetic acid

C13H16N2O3 — CID 81274144

IUPAC2-(4-carbamoyl-N-cyclopropyl-3-methylanilino)acetic acid
SMILESCc1cc(N(CC(=O)O)C2CC2)ccc1C(N)=O
InChIInChI=1S/C13H16N2O3/c1-8-6-10(4-5-11(8)13(14)18)15(7-12(16)17)9-2-3-9/h4-6,9H,2-3,7H2,1H3,(H2,14,18)(H,16,17)
InChIKeyGPQUWHFWLJIWPW-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.15
Rot. Bonds5

About 2-(4-carbamoyl-N-cyclopropyl-3-methylanilino)acetic acid

2-(4-carbamoyl-N-cyclopropyl-3-methylanilino)acetic acid (PubChem CID 81274144) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-(4-carbamoyl-N-cyclopropyl-3-methylanilino)acetic acid.

Molecular Properties

Compound Name2-(4-carbamoyl-N-cyclopropyl-3-methylanilino)acetic acid
PubChem CID81274144
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-(4-carbamoyl-N-cyclopropyl-3-methylanilino)acetic acid
SMILESCc1cc(N(CC(=O)O)C2CC2)ccc1C(N)=O
InChIInChI=1S/C13H16N2O3/c1-8-6-10(4-5-11(8)13(14)18)15(7-12(16)17)9-2-3-9/h4-6,9H,2-3,7H2,1H3,(H2,14,18)(H,16,17)
InChIKeyGPQUWHFWLJIWPW-UHFFFAOYSA-N
XLogP1.15
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-cyclopropyl-4-methylanilino)acetic acid
CID 103439947
2-methyl-4-[methyl-[4-(methylamino)cyclohexyl]amino]benzamide
CID 81279279
2-(N-cyclobutyl-4-methylanilino)acetic acid
CID 65059457
2-methyl-4-[methyl(pyrrolidin-3-yl)amino]benzamide
CID 81279435
2-(5-bromo-2-carbamoyl-N-cyclopentylanilino)acetic acid
CID 114900912
4-[ethyl(piperidin-4-yl)amino]-2-methylbenzoic acid
CID 113400006
4-[cyclohexyl(2-hydroxyethyl)amino]-2-methylbenzenecarbothioamide
CID 81277043
2-(3-amino-N-cyclopentyl-4-methylanilino)acetamide
CID 55130364
2-(N-cyclopropyl-3-ethoxy-4-nitroanilino)acetic acid
CID 63671403
4-[cyclopropyl(2-methylpropyl)amino]-2-methylbenzenecarboximidamide
CID 81279187
2-(4-methyl-N-(3-methylcyclopentyl)anilino)acetic acid
CID 65059121
2-amino-4-[cyclopropyl(ethyl)amino]benzoic acid
CID 104500225

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamoyl-N-cyclopropyl-3-methylanilino)acetic acid?
The IUPAC name of 2-(4-carbamoyl-N-cyclopropyl-3-methylanilino)acetic acid (CID 81274144) is 2-(4-carbamoyl-N-cyclopropyl-3-methylanilino)acetic acid.
What is the SMILES notation for 2-(4-carbamoyl-N-cyclopropyl-3-methylanilino)acetic acid?
The canonical SMILES for 2-(4-carbamoyl-N-cyclopropyl-3-methylanilino)acetic acid is Cc1cc(N(CC(=O)O)C2CC2)ccc1C(N)=O.
What is the InChIKey of 2-(4-carbamoyl-N-cyclopropyl-3-methylanilino)acetic acid?
The InChIKey is GPQUWHFWLJIWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-8-6-10(4-5-11(8)13(14)18)15(7-12(16)17)9-2-3-9/h4-6,9H,2-3,7H2,1H3,(H2,14,18)(H,16,17).
What are the key properties of 2-(4-carbamoyl-N-cyclopropyl-3-methylanilino)acetic acid?
2-(4-carbamoyl-N-cyclopropyl-3-methylanilino)acetic acid has a molecular weight of 248.28 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamoyl-N-cyclopropyl-3-methylanilino)acetic acid is sourced from PubChem (CID 81274144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).