1-[cyclopentyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid

C12H20N2O3 — CID 63032080

IUPAC1-[cyclopentyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCN(C(=O)N1CCC(C(=O)O)C1)C1CCCC1
InChIInChI=1S/C12H20N2O3/c1-13(10-4-2-3-5-10)12(17)14-7-6-9(8-14)11(15)16/h9-10H,2-8H2,1H3,(H,15,16)
InChIKeyBXINGTJOHZKPLL-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.39
Rot. Bonds2

About 1-[cyclopentyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid

1-[cyclopentyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 63032080) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-[cyclopentyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[cyclopentyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID63032080
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name1-[cyclopentyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCN(C(=O)N1CCC(C(=O)O)C1)C1CCCC1
InChIInChI=1S/C12H20N2O3/c1-13(10-4-2-3-5-10)12(17)14-7-6-9(8-14)11(15)16/h9-10H,2-8H2,1H3,(H,15,16)
InChIKeyBXINGTJOHZKPLL-UHFFFAOYSA-N
XLogP1.39
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[methyl-(1-methylpiperidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63032128
(3S)-1-[methyl-(2-methylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid
CID 81125807
pyrrolidine-1,3-dicarboxylic acid
CID 22258620
N-cyclopropyl-N,3-dimethylpyrrolidine-1-carboxamide
CID 131154116
1-[methyl-(2-methyloxolan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 82742033
1-[methyl(2-methylpropyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63032262
1-[2-[cycloheptyl(methyl)amino]acetyl]piperidine-4-carboxylic acid
CID 62657437
2-[4-[cyclohexyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid
CID 62309502
N-methyl-N-(4-methylcyclohexyl)piperidine-1-carboxamide
CID 115578678
1-[2-methoxyethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63030368
1-[cyclohexyl(methyl)sulfamoyl]pyrrolidine-3-carboxylic acid
CID 63030973
4-[cycloheptyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63784841

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopentyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[cyclopentyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid (CID 63032080) is 1-[cyclopentyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[cyclopentyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[cyclopentyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid is CN(C(=O)N1CCC(C(=O)O)C1)C1CCCC1.
What is the InChIKey of 1-[cyclopentyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is BXINGTJOHZKPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-13(10-4-2-3-5-10)12(17)14-7-6-9(8-14)11(15)16/h9-10H,2-8H2,1H3,(H,15,16).
What are the key properties of 1-[cyclopentyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid?
1-[cyclopentyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopentyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63032080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).