2-cyclopropyl-2-[(4-methylbenzoyl)amino]acetic acid

C13H15NO3 — CID 55108281

IUPAC2-cyclopropyl-2-[(4-methylbenzoyl)amino]acetic acid
SMILESCc1ccc(C(=O)NC(C(=O)O)C2CC2)cc1
InChIInChI=1S/C13H15NO3/c1-8-2-4-10(5-3-8)12(15)14-11(13(16)17)9-6-7-9/h2-5,9,11H,6-7H2,1H3,(H,14,15)(H,16,17)
InChIKeyWRFQQTXPYFOTRB-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.59
Rot. Bonds4

About 2-cyclopropyl-2-[(4-methylbenzoyl)amino]acetic acid

2-cyclopropyl-2-[(4-methylbenzoyl)amino]acetic acid (PubChem CID 55108281) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(4-methylbenzoyl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(4-methylbenzoyl)amino]acetic acid
PubChem CID55108281
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name2-cyclopropyl-2-[(4-methylbenzoyl)amino]acetic acid
SMILESCc1ccc(C(=O)NC(C(=O)O)C2CC2)cc1
InChIInChI=1S/C13H15NO3/c1-8-2-4-10(5-3-8)12(15)14-11(13(16)17)9-6-7-9/h2-5,9,11H,6-7H2,1H3,(H,14,15)(H,16,17)
InChIKeyWRFQQTXPYFOTRB-UHFFFAOYSA-N
XLogP1.59
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-benzamido-2-cyclopropylacetic acid
CID 94553117
2-[(4-methylbenzoyl)amino]-2-(oxan-3-yl)acetic acid
CID 120549071
2-[(4-butoxybenzoyl)amino]-2-cyclopropylacetic acid
CID 62695518
2-cyclopropyl-2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]acetic acid
CID 119213497
2-cyclopropyl-2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]acetic acid
CID 119214072
2-cyclopropyl-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]acetic acid
CID 103258836
2-cyclopropyl-2-[(2-methoxy-5-methylbenzoyl)amino]acetic acid
CID 62697272
2-cyclopropyl-2-[[4-(1,3,4-oxadiazol-2-yl)benzoyl]amino]acetic acid
CID 62697061
2-cyclopropyl-2-[(4-methylphenyl)methylcarbamoylamino]acetic acid
CID 62710013
2-[[4-(2-amino-2-oxoethoxy)benzoyl]amino]-2-cyclopropylacetic acid
CID 62697830
2-cyclopropyl-2-[(3,5-dibromobenzoyl)amino]acetic acid
CID 107971371
2-cyclopropyl-2-[(3-iodobenzoyl)amino]acetic acid
CID 62696091

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(4-methylbenzoyl)amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(4-methylbenzoyl)amino]acetic acid (CID 55108281) is 2-cyclopropyl-2-[(4-methylbenzoyl)amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(4-methylbenzoyl)amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(4-methylbenzoyl)amino]acetic acid is Cc1ccc(C(=O)NC(C(=O)O)C2CC2)cc1.
What is the InChIKey of 2-cyclopropyl-2-[(4-methylbenzoyl)amino]acetic acid?
The InChIKey is WRFQQTXPYFOTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-8-2-4-10(5-3-8)12(15)14-11(13(16)17)9-6-7-9/h2-5,9,11H,6-7H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-cyclopropyl-2-[(4-methylbenzoyl)amino]acetic acid?
2-cyclopropyl-2-[(4-methylbenzoyl)amino]acetic acid has a molecular weight of 233.27 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(4-methylbenzoyl)amino]acetic acid is sourced from PubChem (CID 55108281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).