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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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).