2-[[3-(methylcarbamoyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid

C14H16N2O4 — CID 120549379

IUPAC2-[[3-(methylcarbamoyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCNC(=O)c1cccc(CNC(=O)C2CC2C(=O)O)c1
InChIInChI=1S/C14H16N2O4/c1-15-12(17)9-4-2-3-8(5-9)7-16-13(18)10-6-11(10)14(19)20/h2-5,10-11H,6-7H2,1H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyQCIQGOMBYVNFRY-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.38
Rot. Bonds5

About 2-[[3-(methylcarbamoyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid

2-[[3-(methylcarbamoyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 120549379) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 2-[[3-(methylcarbamoyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[3-(methylcarbamoyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
PubChem CID120549379
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name2-[[3-(methylcarbamoyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCNC(=O)c1cccc(CNC(=O)C2CC2C(=O)O)c1
InChIInChI=1S/C14H16N2O4/c1-15-12(17)9-4-2-3-8(5-9)7-16-13(18)10-6-11(10)14(19)20/h2-5,10-11H,6-7H2,1H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyQCIQGOMBYVNFRY-UHFFFAOYSA-N
XLogP0.38
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 ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,2S)-2-(benzylcarbamoyl)cyclopropane-1-carboxylic acid
CID 51776902
1-N-[[3-(methylcarbamoyl)phenyl]methyl]-2-N-propan-2-ylcyclohexane-1,2-dicarboxamide
CID 165121814
3-[[(3-aminocyclopentanecarbonyl)amino]methyl]-N-methylbenzamide;hydrochloride
CID 119719955
N-methyl-4-[[(2-methylcyclopropanecarbonyl)amino]methyl]benzamide
CID 42953153
cis-(1S,2R)-2-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 51412984
2-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119187254
3-[[(N-benzyl-N'-methylcarbamimidoyl)amino]methyl]-N-methylbenzamide;hydroiodide
CID 110952739
N-[[3-(methylcarbamoyl)phenyl]methyl]-1-prop-2-ynylpiperidine-4-carboxamide
CID 55986573
trans-methyl (1S,2S)-2-[[3-(methoxymethyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylate
CID 99816213
N-methyl-3-[[3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]propanoylamino]methyl]benzamide
CID 94021194
trans-(1R,2R)-2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125131992
(2S)-N-benzyl-2-methylcyclopropane-1-carboxamide
CID 164843692

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(methylcarbamoyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[[3-(methylcarbamoyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid (CID 120549379) is 2-[[3-(methylcarbamoyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[[3-(methylcarbamoyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[[3-(methylcarbamoyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid is CNC(=O)c1cccc(CNC(=O)C2CC2C(=O)O)c1.
What is the InChIKey of 2-[[3-(methylcarbamoyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is QCIQGOMBYVNFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-15-12(17)9-4-2-3-8(5-9)7-16-13(18)10-6-11(10)14(19)20/h2-5,10-11H,6-7H2,1H3,(H,15,17)(H,16,18)(H,19,20).
What are the key properties of 2-[[3-(methylcarbamoyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid?
2-[[3-(methylcarbamoyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 276.29 g/mol, XLogP of 0.38, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(methylcarbamoyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 120549379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).