2-[(3-acetamidobenzoyl)amino]-2-cyclopropylacetic acid

C14H16N2O4 — CID 62696710

IUPAC2-[(3-acetamidobenzoyl)amino]-2-cyclopropylacetic acid
SMILESCC(=O)Nc1cccc(C(=O)NC(C(=O)O)C2CC2)c1
InChIInChI=1S/C14H16N2O4/c1-8(17)15-11-4-2-3-10(7-11)13(18)16-12(14(19)20)9-5-6-9/h2-4,7,9,12H,5-6H2,1H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyXYEZJMGMLZHAAL-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.24
Rot. Bonds5

About 2-[(3-acetamidobenzoyl)amino]-2-cyclopropylacetic acid

2-[(3-acetamidobenzoyl)amino]-2-cyclopropylacetic acid (PubChem CID 62696710) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 2-[(3-acetamidobenzoyl)amino]-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-[(3-acetamidobenzoyl)amino]-2-cyclopropylacetic acid
PubChem CID62696710
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name2-[(3-acetamidobenzoyl)amino]-2-cyclopropylacetic acid
SMILESCC(=O)Nc1cccc(C(=O)NC(C(=O)O)C2CC2)c1
InChIInChI=1S/C14H16N2O4/c1-8(17)15-11-4-2-3-10(7-11)13(18)16-12(14(19)20)9-5-6-9/h2-4,7,9,12H,5-6H2,1H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyXYEZJMGMLZHAAL-UHFFFAOYSA-N
XLogP1.24
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-[(3-iodobenzoyl)amino]acetic acid
CID 62696091
(2S)-2-benzamido-2-cyclopropylacetic acid
CID 94553117
2-[(3-chlorobenzoyl)amino]-2-cyclopropylacetic acid
CID 55108280
2-cyclopropyl-2-[(3-nitrobenzoyl)amino]acetic acid
CID 62697230
2-cyclopropyl-2-[[3-(methoxymethyl)benzoyl]amino]acetic acid
CID 62697280
2-cyclopropyl-2-[(4-methylbenzoyl)amino]acetic acid
CID 55108281
2-[[3-(cyclohexanecarbonylamino)benzoyl]amino]-2-(oxan-3-yl)acetic acid
CID 120549018
2-[[2-[(3-bromobenzoyl)amino]acetyl]amino]-2-cyclopropylacetic acid
CID 62696891
2-cyclopropyl-2-[[3-(2H-tetrazol-5-yl)benzoyl]amino]acetic acid
CID 62695358
3-acetamido-N-(4-hydroxycyclohexyl)benzamide
CID 43389328
3-(cyclopropanecarbonylamino)-N-propan-2-ylbenzamide
CID 17197396
2-cyclopropyl-2-[(3,5-dibromobenzoyl)amino]acetic acid
CID 107971371

Frequently Asked Questions

What is the IUPAC name of 2-[(3-acetamidobenzoyl)amino]-2-cyclopropylacetic acid?
The IUPAC name of 2-[(3-acetamidobenzoyl)amino]-2-cyclopropylacetic acid (CID 62696710) is 2-[(3-acetamidobenzoyl)amino]-2-cyclopropylacetic acid.
What is the SMILES notation for 2-[(3-acetamidobenzoyl)amino]-2-cyclopropylacetic acid?
The canonical SMILES for 2-[(3-acetamidobenzoyl)amino]-2-cyclopropylacetic acid is CC(=O)Nc1cccc(C(=O)NC(C(=O)O)C2CC2)c1.
What is the InChIKey of 2-[(3-acetamidobenzoyl)amino]-2-cyclopropylacetic acid?
The InChIKey is XYEZJMGMLZHAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-8(17)15-11-4-2-3-10(7-11)13(18)16-12(14(19)20)9-5-6-9/h2-4,7,9,12H,5-6H2,1H3,(H,15,17)(H,16,18)(H,19,20).
What are the key properties of 2-[(3-acetamidobenzoyl)amino]-2-cyclopropylacetic acid?
2-[(3-acetamidobenzoyl)amino]-2-cyclopropylacetic acid has a molecular weight of 276.29 g/mol, XLogP of 1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-acetamidobenzoyl)amino]-2-cyclopropylacetic acid is sourced from PubChem (CID 62696710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).