(2S)-N-(2-cyanoethyl)-2-(methylamino)propanamide

C7H13N3O — CID 94522697

IUPAC(2S)-N-(2-cyanoethyl)-2-(methylamino)propanamide
SMILESCN[C@@H](C)C(=O)NCCC#N
InChIInChI=1S/C7H13N3O/c1-6(9-2)7(11)10-5-3-4-8/h6,9H,3,5H2,1-2H3,(H,10,11)/t6-/m0/s1
InChIKeyXPZIIATWVHJNSX-LURJTMIESA-N
MW155.20 g/mol
LogP-0.38
Rot. Bonds4

About (2S)-N-(2-cyanoethyl)-2-(methylamino)propanamide

(2S)-N-(2-cyanoethyl)-2-(methylamino)propanamide (PubChem CID 94522697) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is (2S)-N-(2-cyanoethyl)-2-(methylamino)propanamide.

Molecular Properties

Compound Name(2S)-N-(2-cyanoethyl)-2-(methylamino)propanamide
PubChem CID94522697
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name(2S)-N-(2-cyanoethyl)-2-(methylamino)propanamide
SMILESCN[C@@H](C)C(=O)NCCC#N
InChIInChI=1S/C7H13N3O/c1-6(9-2)7(11)10-5-3-4-8/h6,9H,3,5H2,1-2H3,(H,10,11)/t6-/m0/s1
InChIKeyXPZIIATWVHJNSX-LURJTMIESA-N
XLogP-0.38
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-N-(2-cyanoethyl)-2-(methylamino)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(methylamino)-N-pent-4-ynylpropanamide
CID 106221794
1-(2-cyanoethyl)-3-propan-2-ylurea
CID 60971212
2-amino-N-(2-cyanoethyl)-4-methylpentanamide
CID 43364126
N-cyano-2-(methylamino)propanamide
CID 79203267
(2S)-2-(2-cyanoethylamino)propanoic acid
CID 54110515
2-amino-N-(3-cyanopropyl)propanamide
CID 62666254
(2S)-N-(2,2-dimethylpropyl)-2-(methylamino)propanamide
CID 94523779
1-(2-cyanoethyl)-3-ethylurea
CID 60971056
3-[[(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]propanoyl]amino]propanoic acid
CID 146653249
2-bromo-N-(4-cyanobutyl)propanamide
CID 107905319
N-(2-cyanoethyl)-2-ethylhexanamide
CID 62666386
N-(2-cyanoethyl)butanamide
CID 14899794

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-cyanoethyl)-2-(methylamino)propanamide?
The IUPAC name of (2S)-N-(2-cyanoethyl)-2-(methylamino)propanamide (CID 94522697) is (2S)-N-(2-cyanoethyl)-2-(methylamino)propanamide.
What is the SMILES notation for (2S)-N-(2-cyanoethyl)-2-(methylamino)propanamide?
The canonical SMILES for (2S)-N-(2-cyanoethyl)-2-(methylamino)propanamide is CN[C@@H](C)C(=O)NCCC#N.
What is the InChIKey of (2S)-N-(2-cyanoethyl)-2-(methylamino)propanamide?
The InChIKey is XPZIIATWVHJNSX-LURJTMIESA-N. The full InChI is InChI=1S/C7H13N3O/c1-6(9-2)7(11)10-5-3-4-8/h6,9H,3,5H2,1-2H3,(H,10,11)/t6-/m0/s1.
What are the key properties of (2S)-N-(2-cyanoethyl)-2-(methylamino)propanamide?
(2S)-N-(2-cyanoethyl)-2-(methylamino)propanamide has a molecular weight of 155.20 g/mol, XLogP of -0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-cyanoethyl)-2-(methylamino)propanamide is sourced from PubChem (CID 94522697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).