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

C11H25ClN2O2 — CID 23568571

IUPAC(2S)-2-amino-N-(3-ethoxypropyl)-4-methylpentanamide;hydrochloride
SMILESCCOCCCNC(=O)[C@@H](N)CC(C)C.Cl
InChIInChI=1S/C11H24N2O2.ClH/c1-4-15-7-5-6-13-11(14)10(12)8-9(2)3;/h9-10H,4-8,12H2,1-3H3,(H,13,14);1H/t10-;/m0./s1
InChIKeyXNTZHXUVSRFSJH-PPHPATTJSA-N
MW252.79 g/mol
LogP1.32
Rot. Bonds8

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

(2S)-2-amino-N-(3-ethoxypropyl)-4-methylpentanamide;hydrochloride (PubChem CID 23568571) has the molecular formula C11H25ClN2O2 and a molecular weight of 252.79 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-ethoxypropyl)-4-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-ethoxypropyl)-4-methylpentanamide;hydrochloride
PubChem CID23568571
Molecular FormulaC11H25ClN2O2
Molecular Weight252.79 g/mol
Exact Mass252.16
IUPAC Name(2S)-2-amino-N-(3-ethoxypropyl)-4-methylpentanamide;hydrochloride
SMILESCCOCCCNC(=O)[C@@H](N)CC(C)C.Cl
InChIInChI=1S/C11H24N2O2.ClH/c1-4-15-7-5-6-13-11(14)10(12)8-9(2)3;/h9-10H,4-8,12H2,1-3H3,(H,13,14);1H/t10-;/m0./s1
InChIKeyXNTZHXUVSRFSJH-PPHPATTJSA-N
XLogP1.32
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-ethoxypropyl)-4-methylpentanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(3-ethoxypropyl)-4-methylpentanamide;hydrochloride (CID 23568571) is (2S)-2-amino-N-(3-ethoxypropyl)-4-methylpentanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(3-ethoxypropyl)-4-methylpentanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(3-ethoxypropyl)-4-methylpentanamide;hydrochloride is CCOCCCNC(=O)[C@@H](N)CC(C)C.Cl.
What is the InChIKey of (2S)-2-amino-N-(3-ethoxypropyl)-4-methylpentanamide;hydrochloride?
The InChIKey is XNTZHXUVSRFSJH-PPHPATTJSA-N. The full InChI is InChI=1S/C11H24N2O2.ClH/c1-4-15-7-5-6-13-11(14)10(12)8-9(2)3;/h9-10H,4-8,12H2,1-3H3,(H,13,14);1H/t10-;/m0./s1.
What are the key properties of (2S)-2-amino-N-(3-ethoxypropyl)-4-methylpentanamide;hydrochloride?
(2S)-2-amino-N-(3-ethoxypropyl)-4-methylpentanamide;hydrochloride has a molecular weight of 252.79 g/mol, XLogP of 1.32, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3-ethoxypropyl)-4-methylpentanamide;hydrochloride is sourced from PubChem (CID 23568571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).