(2S)-1-(1-butanoylpiperidine-3-carbonyl)pyrrolidine-2-carboxylic acid

C15H24N2O4 — CID 119365358

IUPAC(2S)-1-(1-butanoylpiperidine-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCCCC(=O)N1CCCC(C(=O)N2CCC[C@H]2C(=O)O)C1
InChIInChI=1S/C15H24N2O4/c1-2-5-13(18)16-8-3-6-11(10-16)14(19)17-9-4-7-12(17)15(20)21/h11-12H,2-10H2,1H3,(H,20,21)/t11?,12-/m0/s1
InChIKeyLETWWZIGORYANA-KIYNQFGBSA-N
MW296.37 g/mol
LogP1.10
Rot. Bonds4

About (2S)-1-(1-butanoylpiperidine-3-carbonyl)pyrrolidine-2-carboxylic acid

(2S)-1-(1-butanoylpiperidine-3-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 119365358) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is (2S)-1-(1-butanoylpiperidine-3-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(1-butanoylpiperidine-3-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID119365358
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name(2S)-1-(1-butanoylpiperidine-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCCCC(=O)N1CCCC(C(=O)N2CCC[C@H]2C(=O)O)C1
InChIInChI=1S/C15H24N2O4/c1-2-5-13(18)16-8-3-6-11(10-16)14(19)17-9-4-7-12(17)15(20)21/h11-12H,2-10H2,1H3,(H,20,21)/t11?,12-/m0/s1
InChIKeyLETWWZIGORYANA-KIYNQFGBSA-N
XLogP1.10
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(1-acetylpiperidine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 61137336
1-(1-acetylpiperidine-3-carbonyl)piperidine-2-carboxylic acid
CID 43171073
(2R)-1-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119371132
(2S)-1-(1-carbamoylpiperidine-3-carbonyl)piperidine-2-carboxylic acid
CID 66262849
1-[2-(azepane-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 53015946
1-[(2R)-2-(azepane-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 94582616
1-[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]piperidine-2-carboxylic acid
CID 102557880
(2S)-1-[(2S)-1-[5-(azepan-1-yl)-5-oxopentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 11373162
1-(1-ethylsulfonylpiperidine-3-carbonyl)piperidine-2-carboxylic acid
CID 119137754
1-(cyclohexanecarbonyl)azepane-2-carboxylic acid
CID 64559163
1-(cyclohexanecarbonyl)azocane-2-carboxylic acid
CID 114239738
(2S)-1-(cyclohexanecarbonyl)piperidine-2-carboxylic acid
CID 42083438

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(1-butanoylpiperidine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(1-butanoylpiperidine-3-carbonyl)pyrrolidine-2-carboxylic acid (CID 119365358) is (2S)-1-(1-butanoylpiperidine-3-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(1-butanoylpiperidine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(1-butanoylpiperidine-3-carbonyl)pyrrolidine-2-carboxylic acid is CCCC(=O)N1CCCC(C(=O)N2CCC[C@H]2C(=O)O)C1.
What is the InChIKey of (2S)-1-(1-butanoylpiperidine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is LETWWZIGORYANA-KIYNQFGBSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-2-5-13(18)16-8-3-6-11(10-16)14(19)17-9-4-7-12(17)15(20)21/h11-12H,2-10H2,1H3,(H,20,21)/t11?,12-/m0/s1.
What are the key properties of (2S)-1-(1-butanoylpiperidine-3-carbonyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(1-butanoylpiperidine-3-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 296.37 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(1-butanoylpiperidine-3-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119365358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).