1-[[3-(2-chlorophenyl)cyclobutyl]carbamoyl]pyrrolidine-3-carboxylic acid

C16H19ClN2O3 — CID 122015654

IUPAC1-[[3-(2-chlorophenyl)cyclobutyl]carbamoyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)NC2CC(c3ccccc3Cl)C2)C1
InChIInChI=1S/C16H19ClN2O3/c17-14-4-2-1-3-13(14)11-7-12(8-11)18-16(22)19-6-5-10(9-19)15(20)21/h1-4,10-12H,5-9H2,(H,18,22)(H,20,21)
InChIKeyISBBZYFAPOCBJS-UHFFFAOYSA-N
MW322.79 g/mol
LogP2.70
Rot. Bonds3

About 1-[[3-(2-chlorophenyl)cyclobutyl]carbamoyl]pyrrolidine-3-carboxylic acid

1-[[3-(2-chlorophenyl)cyclobutyl]carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 122015654) has the molecular formula C16H19ClN2O3 and a molecular weight of 322.79 g/mol. Its IUPAC name is 1-[[3-(2-chlorophenyl)cyclobutyl]carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[3-(2-chlorophenyl)cyclobutyl]carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID122015654
Molecular FormulaC16H19ClN2O3
Molecular Weight322.79 g/mol
Exact Mass322.11
IUPAC Name1-[[3-(2-chlorophenyl)cyclobutyl]carbamoyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)NC2CC(c3ccccc3Cl)C2)C1
InChIInChI=1S/C16H19ClN2O3/c17-14-4-2-1-3-13(14)11-7-12(8-11)18-16(22)19-6-5-10(9-19)15(20)21/h1-4,10-12H,5-9H2,(H,18,22)(H,20,21)
InChIKeyISBBZYFAPOCBJS-UHFFFAOYSA-N
XLogP2.70
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[3-(2-chlorophenyl)cyclobutyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123979
4-[[3-(2-chlorophenyl)cyclobutyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122015655
1-[[1-(2-chlorophenyl)piperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122003462
1-[[(1S)-1-(2-chlorophenyl)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122015572
4-(2-chlorophenyl)cyclohexane-1-carboxylic acid
CID 18597617
1-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122008246
1-[(3-ethoxycyclobutyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 114120212
1-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)pyrrolidine-1,3-dicarboxamide
CID 56819408
1-[[(1R,3R)-3-propan-2-yl-2,3-dihydro-1H-inden-1-yl]carbamoyl]piperidine-4-carboxylic acid
CID 122012405
1-[[(1R,3R)-3-propan-2-yl-2,3-dihydro-1H-inden-1-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122012411
1-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122015135
1-[(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122004000

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-chlorophenyl)cyclobutyl]carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[[3-(2-chlorophenyl)cyclobutyl]carbamoyl]pyrrolidine-3-carboxylic acid (CID 122015654) is 1-[[3-(2-chlorophenyl)cyclobutyl]carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[[3-(2-chlorophenyl)cyclobutyl]carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[[3-(2-chlorophenyl)cyclobutyl]carbamoyl]pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(C(=O)NC2CC(c3ccccc3Cl)C2)C1.
What is the InChIKey of 1-[[3-(2-chlorophenyl)cyclobutyl]carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is ISBBZYFAPOCBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O3/c17-14-4-2-1-3-13(14)11-7-12(8-11)18-16(22)19-6-5-10(9-19)15(20)21/h1-4,10-12H,5-9H2,(H,18,22)(H,20,21).
What are the key properties of 1-[[3-(2-chlorophenyl)cyclobutyl]carbamoyl]pyrrolidine-3-carboxylic acid?
1-[[3-(2-chlorophenyl)cyclobutyl]carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 322.79 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-chlorophenyl)cyclobutyl]carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122015654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).