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

C9H18N2O — CID 20596391

IUPAC(2S)-2-amino-4-methyl-N-prop-2-enylpentanamide
SMILESC=CCNC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C9H18N2O/c1-4-5-11-9(12)8(10)6-7(2)3/h4,7-8H,1,5-6,10H2,2-3H3,(H,11,12)/t8-/m0/s1
InChIKeyZDXDRFDXFOVXLH-QMMMGPOBSA-N
MW170.26 g/mol
LogP0.66
Rot. Bonds5

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

(2S)-2-amino-4-methyl-N-prop-2-enylpentanamide (PubChem CID 20596391) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-prop-2-enylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-prop-2-enylpentanamide
PubChem CID20596391
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name(2S)-2-amino-4-methyl-N-prop-2-enylpentanamide
SMILESC=CCNC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C9H18N2O/c1-4-5-11-9(12)8(10)6-7(2)3/h4,7-8H,1,5-6,10H2,2-3H3,(H,11,12)/t8-/m0/s1
InChIKeyZDXDRFDXFOVXLH-QMMMGPOBSA-N
XLogP0.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-prop-2-enylpentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-prop-2-enylpentanamide (CID 20596391) is (2S)-2-amino-4-methyl-N-prop-2-enylpentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-prop-2-enylpentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-prop-2-enylpentanamide is C=CCNC(=O)[C@@H](N)CC(C)C.
What is the InChIKey of (2S)-2-amino-4-methyl-N-prop-2-enylpentanamide?
The InChIKey is ZDXDRFDXFOVXLH-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H18N2O/c1-4-5-11-9(12)8(10)6-7(2)3/h4,7-8H,1,5-6,10H2,2-3H3,(H,11,12)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-prop-2-enylpentanamide?
(2S)-2-amino-4-methyl-N-prop-2-enylpentanamide has a molecular weight of 170.26 g/mol, XLogP of 0.66, 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 is sourced from PubChem (CID 20596391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).