(2S)-2-amino-N-(3-cyclopentylpropyl)butanamide

C12H24N2O — CID 103795274

IUPAC(2S)-2-amino-N-(3-cyclopentylpropyl)butanamide
SMILESCC[C@H](N)C(=O)NCCCC1CCCC1
InChIInChI=1S/C12H24N2O/c1-2-11(13)12(15)14-9-5-8-10-6-3-4-7-10/h10-11H,2-9,13H2,1H3,(H,14,15)/t11-/m0/s1
InChIKeyPGLJGTMRXBVAPS-NSHDSACASA-N
MW212.34 g/mol
LogP1.81
Rot. Bonds6

About (2S)-2-amino-N-(3-cyclopentylpropyl)butanamide

(2S)-2-amino-N-(3-cyclopentylpropyl)butanamide (PubChem CID 103795274) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-cyclopentylpropyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-cyclopentylpropyl)butanamide
PubChem CID103795274
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(2S)-2-amino-N-(3-cyclopentylpropyl)butanamide
SMILESCC[C@H](N)C(=O)NCCCC1CCCC1
InChIInChI=1S/C12H24N2O/c1-2-11(13)12(15)14-9-5-8-10-6-3-4-7-10/h10-11H,2-9,13H2,1H3,(H,14,15)/t11-/m0/s1
InChIKeyPGLJGTMRXBVAPS-NSHDSACASA-N
XLogP1.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-(3-cyclopentylpropyl)propanamide
CID 103795255
(2S)-2-amino-N-(3-cyclopentylpropyl)-4-methylpentanamide;hydrochloride
CID 119724237
2-amino-N-(3-cyclohexylpropyl)-3-methylpentanamide
CID 119724279
(2R)-2-amino-N-(3-cyclopentylpropyl)-3,3-dimethylbutanamide
CID 114137096
(2R)-2-amino-N-(3-cyclopropylpropyl)-4-methylpentanamide
CID 104904077
2-amino-N-(2-cyclopentylethyl)-3-hydroxypropanamide
CID 115180115
(2S)-2-amino-N-(2-cyclohexylethyl)-3-hydroxypropanamide
CID 70364930
(2R)-2-amino-N-(2-cyclooctylethyl)-3-hydroxypropanamide;hydrochloride
CID 154912241
(2S)-2-amino-N-(2-cyclobutylethyl)pentanamide
CID 107570634
3-amino-N-(3-cyclopentylpropyl)-2-methoxypropanamide
CID 106114395
(2R)-2-amino-N-(3-cyclopropylpropyl)-3,3-dimethylbutanamide
CID 104876667
2-(aminomethyl)-N-(3-cyclopentylpropyl)-2-ethylbutanamide
CID 113322317

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-cyclopentylpropyl)butanamide?
The IUPAC name of (2S)-2-amino-N-(3-cyclopentylpropyl)butanamide (CID 103795274) is (2S)-2-amino-N-(3-cyclopentylpropyl)butanamide.
What is the SMILES notation for (2S)-2-amino-N-(3-cyclopentylpropyl)butanamide?
The canonical SMILES for (2S)-2-amino-N-(3-cyclopentylpropyl)butanamide is CC[C@H](N)C(=O)NCCCC1CCCC1.
What is the InChIKey of (2S)-2-amino-N-(3-cyclopentylpropyl)butanamide?
The InChIKey is PGLJGTMRXBVAPS-NSHDSACASA-N. The full InChI is InChI=1S/C12H24N2O/c1-2-11(13)12(15)14-9-5-8-10-6-3-4-7-10/h10-11H,2-9,13H2,1H3,(H,14,15)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N-(3-cyclopentylpropyl)butanamide?
(2S)-2-amino-N-(3-cyclopentylpropyl)butanamide has a molecular weight of 212.34 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3-cyclopentylpropyl)butanamide is sourced from PubChem (CID 103795274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).