(2S)-2-amino-N-(cyanomethyl)-N-ethyl-3,3-dimethylbutanamide

C10H19N3O — CID 10130367

IUPAC(2S)-2-amino-N-(cyanomethyl)-N-ethyl-3,3-dimethylbutanamide
SMILESCCN(CC#N)C(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C10H19N3O/c1-5-13(7-6-11)9(14)8(12)10(2,3)4/h8H,5,7,12H2,1-4H3/t8-/m1/s1
InChIKeyWGBAITLFKGHEFA-MRVPVSSYSA-N
MW197.28 g/mol
LogP0.73
Rot. Bonds3

About (2S)-2-amino-N-(cyanomethyl)-N-ethyl-3,3-dimethylbutanamide

(2S)-2-amino-N-(cyanomethyl)-N-ethyl-3,3-dimethylbutanamide (PubChem CID 10130367) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is (2S)-2-amino-N-(cyanomethyl)-N-ethyl-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(cyanomethyl)-N-ethyl-3,3-dimethylbutanamide
PubChem CID10130367
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name(2S)-2-amino-N-(cyanomethyl)-N-ethyl-3,3-dimethylbutanamide
SMILESCCN(CC#N)C(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C10H19N3O/c1-5-13(7-6-11)9(14)8(12)10(2,3)4/h8H,5,7,12H2,1-4H3/t8-/m1/s1
InChIKeyWGBAITLFKGHEFA-MRVPVSSYSA-N
XLogP0.73
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.73
H-Bond Donors ≤ 51
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)-N-ethyl-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-(cyanomethyl)-N-ethyl-3,3-dimethylbutanamide (CID 10130367) is (2S)-2-amino-N-(cyanomethyl)-N-ethyl-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(cyanomethyl)-N-ethyl-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(cyanomethyl)-N-ethyl-3,3-dimethylbutanamide is CCN(CC#N)C(=O)[C@@H](N)C(C)(C)C.
What is the InChIKey of (2S)-2-amino-N-(cyanomethyl)-N-ethyl-3,3-dimethylbutanamide?
The InChIKey is WGBAITLFKGHEFA-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-5-13(7-6-11)9(14)8(12)10(2,3)4/h8H,5,7,12H2,1-4H3/t8-/m1/s1.
What are the key properties of (2S)-2-amino-N-(cyanomethyl)-N-ethyl-3,3-dimethylbutanamide?
(2S)-2-amino-N-(cyanomethyl)-N-ethyl-3,3-dimethylbutanamide has a molecular weight of 197.28 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(cyanomethyl)-N-ethyl-3,3-dimethylbutanamide is sourced from PubChem (CID 10130367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).