1-[methyl(pentyl)carbamoyl]pyrrolidine-2-carboxylic acid

C12H22N2O3 — CID 61197967

IUPAC1-[methyl(pentyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCCCCCN(C)C(=O)N1CCCC1C(=O)O
InChIInChI=1S/C12H22N2O3/c1-3-4-5-8-13(2)12(17)14-9-6-7-10(14)11(15)16/h10H,3-9H2,1-2H3,(H,15,16)
InChIKeyWMENHMLZNNVWSW-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.78
Rot. Bonds5

About 1-[methyl(pentyl)carbamoyl]pyrrolidine-2-carboxylic acid

1-[methyl(pentyl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 61197967) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-[methyl(pentyl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[methyl(pentyl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID61197967
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name1-[methyl(pentyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCCCCCN(C)C(=O)N1CCCC1C(=O)O
InChIInChI=1S/C12H22N2O3/c1-3-4-5-8-13(2)12(17)14-9-6-7-10(14)11(15)16/h10H,3-9H2,1-2H3,(H,15,16)
InChIKeyWMENHMLZNNVWSW-UHFFFAOYSA-N
XLogP1.78
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-[3-(dimethylamino)propyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78948208
(2R)-1-[2-(dimethylamino)ethyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 55226778
1-[methyl(2-methylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61196249
1-[2-[butyl(methyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 82042254
(2S)-1-[ethyl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61195285
(2R)-1-[methyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 55149110
(2R)-1-[methyl(pentan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 78922876
(2S)-1-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 54969312
(2R)-1-[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922691
(2R)-1-[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922463
(2R)-1-nonanoylpyrrolidine-2-carboxylic acid
CID 69287146
CID 160598111
CID 160598111

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(pentyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[methyl(pentyl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 61197967) is 1-[methyl(pentyl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[methyl(pentyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[methyl(pentyl)carbamoyl]pyrrolidine-2-carboxylic acid is CCCCCN(C)C(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-[methyl(pentyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is WMENHMLZNNVWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-3-4-5-8-13(2)12(17)14-9-6-7-10(14)11(15)16/h10H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 1-[methyl(pentyl)carbamoyl]pyrrolidine-2-carboxylic acid?
1-[methyl(pentyl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 242.32 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(pentyl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61197967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).