(2S)-2-(2-propylpyrrolidin-1-yl)butanamide

C11H22N2O — CID 154632136

IUPAC(2S)-2-(2-propylpyrrolidin-1-yl)butanamide
SMILESCCCC1CCCN1[C@@H](CC)C(N)=O
InChIInChI=1S/C11H22N2O/c1-3-6-9-7-5-8-13(9)10(4-2)11(12)14/h9-10H,3-8H2,1-2H3,(H2,12,14)/t9?,10-/m0/s1
InChIKeyIPZZQPCNLFQZMH-AXDSSHIGSA-N
MW198.31 g/mol
LogP1.51
Rot. Bonds5

About (2S)-2-(2-propylpyrrolidin-1-yl)butanamide

(2S)-2-(2-propylpyrrolidin-1-yl)butanamide (PubChem CID 154632136) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is (2S)-2-(2-propylpyrrolidin-1-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-(2-propylpyrrolidin-1-yl)butanamide
PubChem CID154632136
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name(2S)-2-(2-propylpyrrolidin-1-yl)butanamide
SMILESCCCC1CCCN1[C@@H](CC)C(N)=O
InChIInChI=1S/C11H22N2O/c1-3-6-9-7-5-8-13(9)10(4-2)11(12)14/h9-10H,3-8H2,1-2H3,(H2,12,14)/t9?,10-/m0/s1
InChIKeyIPZZQPCNLFQZMH-AXDSSHIGSA-N
XLogP1.51
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(1-amino-1-oxobutan-2-yl)piperidin-2-yl]propanoic acid
CID 62901019
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butanamide
CID 62900480
2-(2-ethylazepan-1-yl)butanamide
CID 104691437
2-[1-(1-amino-1-oxobutan-2-yl)piperidin-2-yl]acetic acid
CID 62900440
2-chloro-2-(2-propylpiperidin-1-yl)acetamide
CID 70633548
2-[2-[(tert-butylamino)methyl]piperidin-1-yl]butanamide
CID 55256655
(2S)-2-[(2R)-2-[(2R)-1-propanoylpyrrolidin-2-yl]pyrrolidin-1-yl]butanamide
CID 100843979
4-amino-2-(2-propylpiperidin-1-yl)butanoic acid
CID 83057524
2-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]butanamide
CID 111490203
2-(2-piperidin-4-ylpyrrolidin-1-yl)butanamide
CID 66272161
2-[2-(2-hydroxyethyl)piperidin-1-yl]butanehydrazide
CID 63570647
2-[2-(hydroxymethyl)pyrrolidin-1-yl]butanehydrazide
CID 63584047

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-propylpyrrolidin-1-yl)butanamide?
The IUPAC name of (2S)-2-(2-propylpyrrolidin-1-yl)butanamide (CID 154632136) is (2S)-2-(2-propylpyrrolidin-1-yl)butanamide.
What is the SMILES notation for (2S)-2-(2-propylpyrrolidin-1-yl)butanamide?
The canonical SMILES for (2S)-2-(2-propylpyrrolidin-1-yl)butanamide is CCCC1CCCN1[C@@H](CC)C(N)=O.
What is the InChIKey of (2S)-2-(2-propylpyrrolidin-1-yl)butanamide?
The InChIKey is IPZZQPCNLFQZMH-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H22N2O/c1-3-6-9-7-5-8-13(9)10(4-2)11(12)14/h9-10H,3-8H2,1-2H3,(H2,12,14)/t9?,10-/m0/s1.
What are the key properties of (2S)-2-(2-propylpyrrolidin-1-yl)butanamide?
(2S)-2-(2-propylpyrrolidin-1-yl)butanamide has a molecular weight of 198.31 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-propylpyrrolidin-1-yl)butanamide is sourced from PubChem (CID 154632136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).