(2S)-2-amino-N-(cyanomethyl)-4-methylpentanamide

C8H15N3O — CID 22893094

IUPAC(2S)-2-amino-N-(cyanomethyl)-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NCC#N
InChIInChI=1S/C8H15N3O/c1-6(2)5-7(10)8(12)11-4-3-9/h6-7H,4-5,10H2,1-2H3,(H,11,12)/t7-/m0/s1
InChIKeyGQHJCLXWRQHKPT-ZETCQYMHSA-N
MW169.23 g/mol
LogP-0.00
Rot. Bonds4

About (2S)-2-amino-N-(cyanomethyl)-4-methylpentanamide

(2S)-2-amino-N-(cyanomethyl)-4-methylpentanamide (PubChem CID 22893094) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is (2S)-2-amino-N-(cyanomethyl)-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(cyanomethyl)-4-methylpentanamide
PubChem CID22893094
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name(2S)-2-amino-N-(cyanomethyl)-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NCC#N
InChIInChI=1S/C8H15N3O/c1-6(2)5-7(10)8(12)11-4-3-9/h6-7H,4-5,10H2,1-2H3,(H,11,12)/t7-/m0/s1
InChIKeyGQHJCLXWRQHKPT-ZETCQYMHSA-N
XLogP-0.00
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(cyanomethyl)-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-(cyanomethyl)-4-methylpentanamide (CID 22893094) is (2S)-2-amino-N-(cyanomethyl)-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-(cyanomethyl)-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-(cyanomethyl)-4-methylpentanamide is CC(C)C[C@H](N)C(=O)NCC#N.
What is the InChIKey of (2S)-2-amino-N-(cyanomethyl)-4-methylpentanamide?
The InChIKey is GQHJCLXWRQHKPT-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H15N3O/c1-6(2)5-7(10)8(12)11-4-3-9/h6-7H,4-5,10H2,1-2H3,(H,11,12)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-N-(cyanomethyl)-4-methylpentanamide?
(2S)-2-amino-N-(cyanomethyl)-4-methylpentanamide has a molecular weight of 169.23 g/mol, XLogP of -0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(cyanomethyl)-4-methylpentanamide is sourced from PubChem (CID 22893094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).