2-[(2-pyrrolidin-1-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid

C16H20N2O3 — CID 120974434

IUPAC2-[(2-pyrrolidin-1-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1C(=O)Nc1ccccc1N1CCCC1
InChIInChI=1S/C16H20N2O3/c19-15(11-7-8-12(11)16(20)21)17-13-5-1-2-6-14(13)18-9-3-4-10-18/h1-2,5-6,11-12H,3-4,7-10H2,(H,17,19)(H,20,21)
InChIKeyITFPUBLQSUWMHJ-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.34
Rot. Bonds4

About 2-[(2-pyrrolidin-1-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid

2-[(2-pyrrolidin-1-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 120974434) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[(2-pyrrolidin-1-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-pyrrolidin-1-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
PubChem CID120974434
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-[(2-pyrrolidin-1-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1C(=O)Nc1ccccc1N1CCCC1
InChIInChI=1S/C16H20N2O3/c19-15(11-7-8-12(11)16(20)21)17-13-5-1-2-6-14(13)18-9-3-4-10-18/h1-2,5-6,11-12H,3-4,7-10H2,(H,17,19)(H,20,21)
InChIKeyITFPUBLQSUWMHJ-UHFFFAOYSA-N
XLogP2.34
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-N-[2-(azepan-1-yl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 51931889
1-N,3-N-bis(2-pyrrolidin-1-ylphenyl)cyclohexane-1,3-dicarboxamide
CID 60596479
2-[(2-aminophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 61403717
trans-(1S,2S)-2-[(2-chlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 786077
1-(benzenesulfonyl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 24686797
N-[2-(azepan-1-yl)phenyl]benzamide
CID 24652732
1-(benzenesulfonyl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide
CID 46430810
2-methyl-N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 55464601
2-[(2-anilinophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 2884537
N-(2-piperidin-1-ylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 55557554
2,2,2-trichloro-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 890592
2-[[2-(methanesulfonamido)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974718

Frequently Asked Questions

What is the IUPAC name of 2-[(2-pyrrolidin-1-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[(2-pyrrolidin-1-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid (CID 120974434) is 2-[(2-pyrrolidin-1-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-pyrrolidin-1-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[(2-pyrrolidin-1-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid is O=C(O)C1CCC1C(=O)Nc1ccccc1N1CCCC1.
What is the InChIKey of 2-[(2-pyrrolidin-1-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is ITFPUBLQSUWMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-15(11-7-8-12(11)16(20)21)17-13-5-1-2-6-14(13)18-9-3-4-10-18/h1-2,5-6,11-12H,3-4,7-10H2,(H,17,19)(H,20,21).
What are the key properties of 2-[(2-pyrrolidin-1-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid?
2-[(2-pyrrolidin-1-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-pyrrolidin-1-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120974434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).