(2S)-2-amino-N-(cyanomethyl)-4-methylpent-4-enamide

C8H13N3O — CID 22893114

IUPAC(2S)-2-amino-N-(cyanomethyl)-4-methylpent-4-enamide
SMILESC=C(C)C[C@H](N)C(=O)NCC#N
InChIInChI=1S/C8H13N3O/c1-6(2)5-7(10)8(12)11-4-3-9/h7H,1,4-5,10H2,2H3,(H,11,12)/t7-/m0/s1
InChIKeyBLPMINKBJNLDFZ-ZETCQYMHSA-N
MW167.21 g/mol
LogP-0.08
Rot. Bonds4

About (2S)-2-amino-N-(cyanomethyl)-4-methylpent-4-enamide

(2S)-2-amino-N-(cyanomethyl)-4-methylpent-4-enamide (PubChem CID 22893114) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is (2S)-2-amino-N-(cyanomethyl)-4-methylpent-4-enamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(cyanomethyl)-4-methylpent-4-enamide
PubChem CID22893114
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name(2S)-2-amino-N-(cyanomethyl)-4-methylpent-4-enamide
SMILESC=C(C)C[C@H](N)C(=O)NCC#N
InChIInChI=1S/C8H13N3O/c1-6(2)5-7(10)8(12)11-4-3-9/h7H,1,4-5,10H2,2H3,(H,11,12)/t7-/m0/s1
InChIKeyBLPMINKBJNLDFZ-ZETCQYMHSA-N
XLogP-0.08
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-4-methyl-N-prop-2-enylpent-4-enamide
CID 59280332
4-methyl-N-propan-2-ylpent-4-enamide
CID 59532819
2-amino-4-methyl-N-prop-2-enylpent-4-enamide
CID 72245159
2,6-diamino-N-(2-methylprop-2-enyl)hexanamide
CID 87764874
2,5-diamino-N-(2-methylprop-2-enyl)pentanamide
CID 88011637
2-Acetamido-4-methylpent-4-enamide
CID 88253211
2-amino-N-[(3S)-7-amino-2-methylhept-1-en-3-yl]-3-methylpentanamide
CID 88961019
N-ethyl-4-methylpent-4-enamide
CID 89546441
4-methyl-N-[3-(propan-2-ylamino)propyl]pent-4-enamide
CID 89729425
N-ethyl-4-methylidenepyrrolidine-2-carboxamide
CID 91447134
(2S)-2-amino-4-methyl-N-pent-4-en-2-ylpentanamide
CID 103811949
2-amino-N-(2-methylhept-1-en-3-yl)acetamide
CID 123785275

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(cyanomethyl)-4-methylpent-4-enamide?
The IUPAC name of (2S)-2-amino-N-(cyanomethyl)-4-methylpent-4-enamide (CID 22893114) is (2S)-2-amino-N-(cyanomethyl)-4-methylpent-4-enamide.
What is the SMILES notation for (2S)-2-amino-N-(cyanomethyl)-4-methylpent-4-enamide?
The canonical SMILES for (2S)-2-amino-N-(cyanomethyl)-4-methylpent-4-enamide is C=C(C)C[C@H](N)C(=O)NCC#N.
What is the InChIKey of (2S)-2-amino-N-(cyanomethyl)-4-methylpent-4-enamide?
The InChIKey is BLPMINKBJNLDFZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6(2)5-7(10)8(12)11-4-3-9/h7H,1,4-5,10H2,2H3,(H,11,12)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-N-(cyanomethyl)-4-methylpent-4-enamide?
(2S)-2-amino-N-(cyanomethyl)-4-methylpent-4-enamide has a molecular weight of 167.21 g/mol, XLogP of -0.08, 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-methylpent-4-enamide is sourced from PubChem (CID 22893114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).