1-[4-(cyclopropylcarbamoylamino)phenyl]cyclopropane-1-carboxylic acid

C14H16N2O3 — CID 112557949

IUPAC1-[4-(cyclopropylcarbamoylamino)phenyl]cyclopropane-1-carboxylic acid
SMILESO=C(Nc1ccc(C2(C(=O)O)CC2)cc1)NC1CC1
InChIInChI=1S/C14H16N2O3/c17-12(18)14(7-8-14)9-1-3-10(4-2-9)15-13(19)16-11-5-6-11/h1-4,11H,5-8H2,(H,17,18)(H2,15,16,19)
InChIKeyMOKYQVLXLIETHB-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.09
Rot. Bonds4

About 1-[4-(cyclopropylcarbamoylamino)phenyl]cyclopropane-1-carboxylic acid

1-[4-(cyclopropylcarbamoylamino)phenyl]cyclopropane-1-carboxylic acid (PubChem CID 112557949) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1-[4-(cyclopropylcarbamoylamino)phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-(cyclopropylcarbamoylamino)phenyl]cyclopropane-1-carboxylic acid
PubChem CID112557949
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name1-[4-(cyclopropylcarbamoylamino)phenyl]cyclopropane-1-carboxylic acid
SMILESO=C(Nc1ccc(C2(C(=O)O)CC2)cc1)NC1CC1
InChIInChI=1S/C14H16N2O3/c17-12(18)14(7-8-14)9-1-3-10(4-2-9)15-13(19)16-11-5-6-11/h1-4,11H,5-8H2,(H,17,18)(H2,15,16,19)
InChIKeyMOKYQVLXLIETHB-UHFFFAOYSA-N
XLogP2.09
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(ethylcarbamoylamino)phenyl]cyclopropane-1-carboxylic acid
CID 112557953
1-[4-(dimethylaminocarbamoylamino)phenyl]cyclopropane-1-carboxylic acid
CID 112558536
4-(cyclopropylcarbamoylamino)-N-phenylbenzamide
CID 39885806
1-(4-aminophenyl)-3-cyclopropylurea
CID 25324133
1-cyclopropyl-3-(4-fluorophenyl)urea
CID 840492
1-[4-[[(2R)-oxolane-2-carbonyl]amino]phenyl]cyclopropane-1-carboxylic acid
CID 104855967
1-[4-(cyclopropanecarbonylamino)phenyl]cyclobutane-1-carboxylic acid
CID 90488138
1-phenyl-3-[1-(1-phenylcyclobutanecarbonyl)piperidin-4-yl]urea
CID 86834895
N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide
CID 17180568
N-cyclopropyl-1-[4-(propanoylamino)phenyl]cyclopropane-1-carboxamide
CID 50821667
1-(4-tert-butylphenyl)-3-cyclopropylurea
CID 47127423
1-[4-(2,3-dimethylbutanoylamino)phenyl]cyclopropane-1-carboxylic acid
CID 115912872

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylcarbamoylamino)phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[4-(cyclopropylcarbamoylamino)phenyl]cyclopropane-1-carboxylic acid (CID 112557949) is 1-[4-(cyclopropylcarbamoylamino)phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[4-(cyclopropylcarbamoylamino)phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[4-(cyclopropylcarbamoylamino)phenyl]cyclopropane-1-carboxylic acid is O=C(Nc1ccc(C2(C(=O)O)CC2)cc1)NC1CC1.
What is the InChIKey of 1-[4-(cyclopropylcarbamoylamino)phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is MOKYQVLXLIETHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c17-12(18)14(7-8-14)9-1-3-10(4-2-9)15-13(19)16-11-5-6-11/h1-4,11H,5-8H2,(H,17,18)(H2,15,16,19).
What are the key properties of 1-[4-(cyclopropylcarbamoylamino)phenyl]cyclopropane-1-carboxylic acid?
1-[4-(cyclopropylcarbamoylamino)phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 2.09, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropylcarbamoylamino)phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 112557949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).