1-[2-[butyl(methyl)amino]propanoyl]pyrrolidine-2-carboxylic acid

C13H24N2O3 — CID 82042254

IUPAC1-[2-[butyl(methyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
SMILESCCCCN(C)C(C)C(=O)N1CCCC1C(=O)O
InChIInChI=1S/C13H24N2O3/c1-4-5-8-14(3)10(2)12(16)15-9-6-7-11(15)13(17)18/h10-11H,4-9H2,1-3H3,(H,17,18)
InChIKeyMNGNEMWZGASQAC-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.18
Rot. Bonds6

About 1-[2-[butyl(methyl)amino]propanoyl]pyrrolidine-2-carboxylic acid

1-[2-[butyl(methyl)amino]propanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 82042254) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[2-[butyl(methyl)amino]propanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-[butyl(methyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
PubChem CID82042254
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-[2-[butyl(methyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
SMILESCCCCN(C)C(C)C(=O)N1CCCC1C(=O)O
InChIInChI=1S/C13H24N2O3/c1-4-5-8-14(3)10(2)12(16)15-9-6-7-11(15)13(17)18/h10-11H,4-9H2,1-3H3,(H,17,18)
InChIKeyMNGNEMWZGASQAC-UHFFFAOYSA-N
XLogP1.18
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[methyl(pentyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61197967
(2S)-1-[(2R)-2-methyldecanoyl]pyrrolidine-2-carboxylic acid
CID 102411340
(2R)-1-(2-methylpentanoyl)pyrrolidine-2-carboxylic acid
CID 78922033
1-(2-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 16781860
(2R)-1-(2-ethylhexanoyl)pyrrolidine-2-carboxylic acid
CID 78921934
1-(2-methylhexanoyl)azocane-2-carboxylic acid
CID 114246096
(2R)-1-[methyl(pentan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 78922876
1-(2-hydroxypropanoyl)pyrrolidine-2-carboxylic acid
CID 12919062
(2S)-1-[(2S)-2-[methyl(phenylmethoxycarbonyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 54428617
(2S)-1-(2-hydroxybutanoyl)pyrrolidine-2-carboxylic acid
CID 131497998
(2R)-1-[3-(dimethylamino)propyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78948208
(2S)-1-[ethyl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61195285

Frequently Asked Questions

What is the IUPAC name of 1-[2-[butyl(methyl)amino]propanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-[butyl(methyl)amino]propanoyl]pyrrolidine-2-carboxylic acid (CID 82042254) is 1-[2-[butyl(methyl)amino]propanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-[butyl(methyl)amino]propanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-[butyl(methyl)amino]propanoyl]pyrrolidine-2-carboxylic acid is CCCCN(C)C(C)C(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-[2-[butyl(methyl)amino]propanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is MNGNEMWZGASQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-5-8-14(3)10(2)12(16)15-9-6-7-11(15)13(17)18/h10-11H,4-9H2,1-3H3,(H,17,18).
What are the key properties of 1-[2-[butyl(methyl)amino]propanoyl]pyrrolidine-2-carboxylic acid?
1-[2-[butyl(methyl)amino]propanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[butyl(methyl)amino]propanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 82042254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).