1-[(3-methylbenzoyl)amino]-2-phenylcyclopropane-1-carboxylic acid

C18H17NO3 — CID 84559404

IUPAC1-[(3-methylbenzoyl)amino]-2-phenylcyclopropane-1-carboxylic acid
SMILESCc1cccc(C(=O)NC2(C(=O)O)CC2c2ccccc2)c1
InChIInChI=1S/C18H17NO3/c1-12-6-5-9-14(10-12)16(20)19-18(17(21)22)11-15(18)13-7-3-2-4-8-13/h2-10,15H,11H2,1H3,(H,19,20)(H,21,22)
InChIKeyDRQTYKWALYJUKZ-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.74
Rot. Bonds4

About 1-[(3-methylbenzoyl)amino]-2-phenylcyclopropane-1-carboxylic acid

1-[(3-methylbenzoyl)amino]-2-phenylcyclopropane-1-carboxylic acid (PubChem CID 84559404) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-[(3-methylbenzoyl)amino]-2-phenylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-methylbenzoyl)amino]-2-phenylcyclopropane-1-carboxylic acid
PubChem CID84559404
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name1-[(3-methylbenzoyl)amino]-2-phenylcyclopropane-1-carboxylic acid
SMILESCc1cccc(C(=O)NC2(C(=O)O)CC2c2ccccc2)c1
InChIInChI=1S/C18H17NO3/c1-12-6-5-9-14(10-12)16(20)19-18(17(21)22)11-15(18)13-7-3-2-4-8-13/h2-10,15H,11H2,1H3,(H,19,20)(H,21,22)
InChIKeyDRQTYKWALYJUKZ-UHFFFAOYSA-N
XLogP2.74
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-bromobenzoyl)amino]-2-phenylcyclopropane-1-carboxylic acid
CID 84558954
1-[(4-chlorobenzoyl)amino]-2-phenylcyclopropane-1-carboxylic acid
CID 84559124
2-(3-methylphenyl)-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid
CID 165446704
dimethyl 1,2-dibenzamido-3,4-bis(3-methylphenyl)cyclobutane-1,2-dicarboxylate
CID 164673236
trans-(1S,2R)-1-[[(2S)-2-hydroxypropanoyl]amino]-2-phenylcyclopropane-1-carboxylic acid
CID 176961744
trans-(1S,2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropane-1-carboxylic acid
CID 7009512
3-methyl-N'-[(1S,2S)-2-phenylcyclopropanecarbonyl]benzohydrazide
CID 8022943
2-phenyl-1-(pyrazine-2-carbonylamino)cyclopropane-1-carboxylic acid
CID 148952571
1-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]-2-phenylcyclopropane-1-carboxylic acid
CID 84559554
1-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]-2-phenylcyclopropane-1-carboxylic acid
CID 84562022
1-[(2-methoxy-5-methylphenyl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid
CID 84563243
N-[1-(hydroxymethyl)cyclohexyl]-3-methylbenzamide
CID 62520382

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylbenzoyl)amino]-2-phenylcyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(3-methylbenzoyl)amino]-2-phenylcyclopropane-1-carboxylic acid (CID 84559404) is 1-[(3-methylbenzoyl)amino]-2-phenylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-methylbenzoyl)amino]-2-phenylcyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(3-methylbenzoyl)amino]-2-phenylcyclopropane-1-carboxylic acid is Cc1cccc(C(=O)NC2(C(=O)O)CC2c2ccccc2)c1.
What is the InChIKey of 1-[(3-methylbenzoyl)amino]-2-phenylcyclopropane-1-carboxylic acid?
The InChIKey is DRQTYKWALYJUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-12-6-5-9-14(10-12)16(20)19-18(17(21)22)11-15(18)13-7-3-2-4-8-13/h2-10,15H,11H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 1-[(3-methylbenzoyl)amino]-2-phenylcyclopropane-1-carboxylic acid?
1-[(3-methylbenzoyl)amino]-2-phenylcyclopropane-1-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylbenzoyl)amino]-2-phenylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 84559404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).