(2S)-2-amino-N-(3-cyclopentylpropyl)-4-methylpentanamide;hydrochloride

C14H29ClN2O — CID 119724237

IUPAC(2S)-2-amino-N-(3-cyclopentylpropyl)-4-methylpentanamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)NCCCC1CCCC1.Cl
InChIInChI=1S/C14H28N2O.ClH/c1-11(2)10-13(15)14(17)16-9-5-8-12-6-3-4-7-12;/h11-13H,3-10,15H2,1-2H3,(H,16,17);1H/t13-;/m0./s1
InChIKeyGBUZEWAABLKYOL-ZOWNYOTGSA-N
MW276.85 g/mol
LogP2.87
Rot. Bonds7

About (2S)-2-amino-N-(3-cyclopentylpropyl)-4-methylpentanamide;hydrochloride

(2S)-2-amino-N-(3-cyclopentylpropyl)-4-methylpentanamide;hydrochloride (PubChem CID 119724237) has the molecular formula C14H29ClN2O and a molecular weight of 276.85 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-cyclopentylpropyl)-4-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-cyclopentylpropyl)-4-methylpentanamide;hydrochloride
PubChem CID119724237
Molecular FormulaC14H29ClN2O
Molecular Weight276.85 g/mol
Exact Mass276.20
IUPAC Name(2S)-2-amino-N-(3-cyclopentylpropyl)-4-methylpentanamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)NCCCC1CCCC1.Cl
InChIInChI=1S/C14H28N2O.ClH/c1-11(2)10-13(15)14(17)16-9-5-8-12-6-3-4-7-12;/h11-13H,3-10,15H2,1-2H3,(H,16,17);1H/t13-;/m0./s1
InChIKeyGBUZEWAABLKYOL-ZOWNYOTGSA-N
XLogP2.87
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.85
LogP ≤ 52.87
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

(2R)-2-amino-N-(3-cyclopropylpropyl)-4-methylpentanamide
CID 104904077
(2S)-2-amino-N-(3-cyclopentylpropyl)butanamide
CID 103795274
(2S)-2-amino-N-(3-cyclopentylpropyl)propanamide
CID 103795255
(2R)-2-amino-N-(3-cyclopentylpropyl)-3,3-dimethylbutanamide
CID 114137096
4-amino-N-(3-cyclohexylpropyl)pentanamide;hydrochloride
CID 120560365
2-amino-N-(3-cyclohexylpropyl)-3-methylpentanamide
CID 119724279
(2S)-2-amino-N-[3-(cyclopropylmethoxy)propyl]-4-methylpentanamide
CID 61155391
(3S)-3-(aminomethyl)-N-(3-cyclopentylpropyl)-5-methylhexanamide
CID 106011625
(2R)-2-amino-4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]pentanamide
CID 104902575
(2S)-2-amino-4-methyl-N-(4-methylpentyl)pentanamide
CID 61158361
(2R)-2-amino-N-(2-cyclooctylethyl)-3-hydroxypropanamide;hydrochloride
CID 154912241
3-amino-N-(3-cyclopentylpropyl)-2-methoxypropanamide
CID 106114395

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-cyclopentylpropyl)-4-methylpentanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(3-cyclopentylpropyl)-4-methylpentanamide;hydrochloride (CID 119724237) is (2S)-2-amino-N-(3-cyclopentylpropyl)-4-methylpentanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(3-cyclopentylpropyl)-4-methylpentanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(3-cyclopentylpropyl)-4-methylpentanamide;hydrochloride is CC(C)C[C@H](N)C(=O)NCCCC1CCCC1.Cl.
What is the InChIKey of (2S)-2-amino-N-(3-cyclopentylpropyl)-4-methylpentanamide;hydrochloride?
The InChIKey is GBUZEWAABLKYOL-ZOWNYOTGSA-N. The full InChI is InChI=1S/C14H28N2O.ClH/c1-11(2)10-13(15)14(17)16-9-5-8-12-6-3-4-7-12;/h11-13H,3-10,15H2,1-2H3,(H,16,17);1H/t13-;/m0./s1.
What are the key properties of (2S)-2-amino-N-(3-cyclopentylpropyl)-4-methylpentanamide;hydrochloride?
(2S)-2-amino-N-(3-cyclopentylpropyl)-4-methylpentanamide;hydrochloride has a molecular weight of 276.85 g/mol, XLogP of 2.87, 7 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)-4-methylpentanamide;hydrochloride is sourced from PubChem (CID 119724237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).