(2S)-2-amino-4-methyl-N-prop-2-enylpentanamide;hydrochloride

C9H19ClN2O — CID 20596390

IUPAC(2S)-2-amino-4-methyl-N-prop-2-enylpentanamide;hydrochloride
SMILESC=CCNC(=O)[C@@H](N)CC(C)C.Cl
InChIInChI=1S/C9H18N2O.ClH/c1-4-5-11-9(12)8(10)6-7(2)3;/h4,7-8H,1,5-6,10H2,2-3H3,(H,11,12);1H/t8-;/m0./s1
InChIKeySQQYVKHCYGYQLS-QRPNPIFTSA-N
MW206.72 g/mol
LogP1.08
Rot. Bonds5

About (2S)-2-amino-4-methyl-N-prop-2-enylpentanamide;hydrochloride

(2S)-2-amino-4-methyl-N-prop-2-enylpentanamide;hydrochloride (PubChem CID 20596390) has the molecular formula C9H19ClN2O and a molecular weight of 206.72 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-prop-2-enylpentanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-prop-2-enylpentanamide;hydrochloride
PubChem CID20596390
Molecular FormulaC9H19ClN2O
Molecular Weight206.72 g/mol
Exact Mass206.12
IUPAC Name(2S)-2-amino-4-methyl-N-prop-2-enylpentanamide;hydrochloride
SMILESC=CCNC(=O)[C@@H](N)CC(C)C.Cl
InChIInChI=1S/C9H18N2O.ClH/c1-4-5-11-9(12)8(10)6-7(2)3;/h4,7-8H,1,5-6,10H2,2-3H3,(H,11,12);1H/t8-;/m0./s1
InChIKeySQQYVKHCYGYQLS-QRPNPIFTSA-N
XLogP1.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.72
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-2-amino-4-methyl-N-prop-2-enylpentanamide;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-4-methyl-N-prop-2-enylpentanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-4-methyl-N-prop-2-enylpentanamide;hydrochloride (CID 20596390) is (2S)-2-amino-4-methyl-N-prop-2-enylpentanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-prop-2-enylpentanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-4-methyl-N-prop-2-enylpentanamide;hydrochloride is C=CCNC(=O)[C@@H](N)CC(C)C.Cl.
What is the InChIKey of (2S)-2-amino-4-methyl-N-prop-2-enylpentanamide;hydrochloride?
The InChIKey is SQQYVKHCYGYQLS-QRPNPIFTSA-N. The full InChI is InChI=1S/C9H18N2O.ClH/c1-4-5-11-9(12)8(10)6-7(2)3;/h4,7-8H,1,5-6,10H2,2-3H3,(H,11,12);1H/t8-;/m0./s1.
What are the key properties of (2S)-2-amino-4-methyl-N-prop-2-enylpentanamide;hydrochloride?
(2S)-2-amino-4-methyl-N-prop-2-enylpentanamide;hydrochloride has a molecular weight of 206.72 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-prop-2-enylpentanamide;hydrochloride is sourced from PubChem (CID 20596390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).