1-[4-(cyclopropanecarbonylamino)phenyl]cyclobutane-1-carboxylic acid

C15H17NO3 — CID 90488138

IUPAC1-[4-(cyclopropanecarbonylamino)phenyl]cyclobutane-1-carboxylic acid
SMILESO=C(Nc1ccc(C2(C(=O)O)CCC2)cc1)C1CC1
InChIInChI=1S/C15H17NO3/c17-13(10-2-3-10)16-12-6-4-11(5-7-12)15(14(18)19)8-1-9-15/h4-7,10H,1-3,8-9H2,(H,16,17)(H,18,19)
InChIKeyRQIPLEWKJFCVIB-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.54
Rot. Bonds4

About 1-[4-(cyclopropanecarbonylamino)phenyl]cyclobutane-1-carboxylic acid

1-[4-(cyclopropanecarbonylamino)phenyl]cyclobutane-1-carboxylic acid (PubChem CID 90488138) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is 1-[4-(cyclopropanecarbonylamino)phenyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-(cyclopropanecarbonylamino)phenyl]cyclobutane-1-carboxylic acid
PubChem CID90488138
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name1-[4-(cyclopropanecarbonylamino)phenyl]cyclobutane-1-carboxylic acid
SMILESO=C(Nc1ccc(C2(C(=O)O)CCC2)cc1)C1CC1
InChIInChI=1S/C15H17NO3/c17-13(10-2-3-10)16-12-6-4-11(5-7-12)15(14(18)19)8-1-9-15/h4-7,10H,1-3,8-9H2,(H,16,17)(H,18,19)
InChIKeyRQIPLEWKJFCVIB-UHFFFAOYSA-N
XLogP2.54
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(methoxycarbonylamino)phenyl]cyclobutane-1-carboxylic acid
CID 117375603
1-[4-[[(2R)-oxolane-2-carbonyl]amino]phenyl]cyclopropane-1-carboxylic acid
CID 104855967
1-(4-anilinophenyl)cyclobutane-1-carboxylic acid
CID 82537404
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
1-[4-(cyclopropylcarbamoylamino)phenyl]cyclopropane-1-carboxylic acid
CID 112557949
4-(cyclopropanecarbonylamino)-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 24614531
4-N-(4-fluorophenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150302
1-(aminomethyl)-N-[4-(cyclopropanecarbonylamino)phenyl]cyclobutane-1-carboxamide
CID 115448437
1-[1-(4-methylphenyl)cyclobutanecarbonyl]-N-phenylpiperidine-3-carboxamide
CID 142125162
1-[4-(cyclopropanecarbonylamino)phenyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide
CID 50821436
1-(4-methylphenyl)cyclobutane-1-carboxylic acid
CID 23295038
N-(4-fluorophenyl)cyclopropanecarboxamide
CID 532027

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropanecarbonylamino)phenyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[4-(cyclopropanecarbonylamino)phenyl]cyclobutane-1-carboxylic acid (CID 90488138) is 1-[4-(cyclopropanecarbonylamino)phenyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[4-(cyclopropanecarbonylamino)phenyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[4-(cyclopropanecarbonylamino)phenyl]cyclobutane-1-carboxylic acid is O=C(Nc1ccc(C2(C(=O)O)CCC2)cc1)C1CC1.
What is the InChIKey of 1-[4-(cyclopropanecarbonylamino)phenyl]cyclobutane-1-carboxylic acid?
The InChIKey is RQIPLEWKJFCVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c17-13(10-2-3-10)16-12-6-4-11(5-7-12)15(14(18)19)8-1-9-15/h4-7,10H,1-3,8-9H2,(H,16,17)(H,18,19).
What are the key properties of 1-[4-(cyclopropanecarbonylamino)phenyl]cyclobutane-1-carboxylic acid?
1-[4-(cyclopropanecarbonylamino)phenyl]cyclobutane-1-carboxylic acid has a molecular weight of 259.30 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropanecarbonylamino)phenyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 90488138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).