(2S)-2-amino-N-(2-methoxyethyl)-4-methylpentanamide;hydrochloride

C9H21ClN2O2 — CID 71757132

IUPAC(2S)-2-amino-N-(2-methoxyethyl)-4-methylpentanamide;hydrochloride
SMILESCOCCNC(=O)[C@@H](N)CC(C)C.Cl
InChIInChI=1S/C9H20N2O2.ClH/c1-7(2)6-8(10)9(12)11-4-5-13-3;/h7-8H,4-6,10H2,1-3H3,(H,11,12);1H/t8-;/m0./s1
InChIKeySGRNDLJIOXATFD-QRPNPIFTSA-N
MW224.73 g/mol
LogP0.54
Rot. Bonds6

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

(2S)-2-amino-N-(2-methoxyethyl)-4-methylpentanamide;hydrochloride (PubChem CID 71757132) has the molecular formula C9H21ClN2O2 and a molecular weight of 224.73 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-methoxyethyl)-4-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-methoxyethyl)-4-methylpentanamide;hydrochloride
PubChem CID71757132
Molecular FormulaC9H21ClN2O2
Molecular Weight224.73 g/mol
Exact Mass224.13
IUPAC Name(2S)-2-amino-N-(2-methoxyethyl)-4-methylpentanamide;hydrochloride
SMILESCOCCNC(=O)[C@@H](N)CC(C)C.Cl
InChIInChI=1S/C9H20N2O2.ClH/c1-7(2)6-8(10)9(12)11-4-5-13-3;/h7-8H,4-6,10H2,1-3H3,(H,11,12);1H/t8-;/m0./s1
InChIKeySGRNDLJIOXATFD-QRPNPIFTSA-N
XLogP0.54
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-2-amino-N-(2-methoxyethyl)-4-methylpentanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-methoxyethyl)-4-methylpentanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(2-methoxyethyl)-4-methylpentanamide;hydrochloride (CID 71757132) is (2S)-2-amino-N-(2-methoxyethyl)-4-methylpentanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(2-methoxyethyl)-4-methylpentanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(2-methoxyethyl)-4-methylpentanamide;hydrochloride is COCCNC(=O)[C@@H](N)CC(C)C.Cl.
What is the InChIKey of (2S)-2-amino-N-(2-methoxyethyl)-4-methylpentanamide;hydrochloride?
The InChIKey is SGRNDLJIOXATFD-QRPNPIFTSA-N. The full InChI is InChI=1S/C9H20N2O2.ClH/c1-7(2)6-8(10)9(12)11-4-5-13-3;/h7-8H,4-6,10H2,1-3H3,(H,11,12);1H/t8-;/m0./s1.
What are the key properties of (2S)-2-amino-N-(2-methoxyethyl)-4-methylpentanamide;hydrochloride?
(2S)-2-amino-N-(2-methoxyethyl)-4-methylpentanamide;hydrochloride has a molecular weight of 224.73 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-methoxyethyl)-4-methylpentanamide;hydrochloride is sourced from PubChem (CID 71757132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).