2-(but-2-ynylamino)propanamide

C7H12N2O — CID 62311148

IUPAC2-(but-2-ynylamino)propanamide
SMILESCC#CCNC(C)C(N)=O
InChIInChI=1S/C7H12N2O/c1-3-4-5-9-6(2)7(8)10/h6,9H,5H2,1-2H3,(H2,8,10)
InChIKeyAKMWXXANHNPBIE-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.53
Rot. Bonds3

About 2-(but-2-ynylamino)propanamide

2-(but-2-ynylamino)propanamide (PubChem CID 62311148) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 2-(but-2-ynylamino)propanamide.

Molecular Properties

Compound Name2-(but-2-ynylamino)propanamide
PubChem CID62311148
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name2-(but-2-ynylamino)propanamide
SMILESCC#CCNC(C)C(N)=O
InChIInChI=1S/C7H12N2O/c1-3-4-5-9-6(2)7(8)10/h6,9H,5H2,1-2H3,(H2,8,10)
InChIKeyAKMWXXANHNPBIE-UHFFFAOYSA-N
XLogP-0.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(but-2-ynylamino)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-(propylamino)propanamide
CID 43086178
2-(2-aminoethylamino)propanamide
CID 20551229
(2S)-2-(2-hydroxyethylamino)propanamide
CID 93033472
(2S)-2-(propylamino)propanamide
CID 28835957
2-amino-3-[(1-amino-1-oxopropan-2-yl)amino]propanamide
CID 103238893
2-(3-methylbutylamino)propanamide
CID 43086017
2-(3-hydroxypropylamino)propanamide
CID 43392787
2-[(1-amino-1-oxopropan-2-yl)amino]ethyl carbamate
CID 83211096
2-(2-methylsulfanylethylamino)propanamide
CID 60672708
2-(3-fluoropropylamino)propanamide
CID 81105726
2-(hydroxyamino)propanamide
CID 12611671
4-[(1-amino-1-oxopropan-2-yl)amino]-3-hydroxybutanoic acid
CID 103238903

Frequently Asked Questions

What is the IUPAC name of 2-(but-2-ynylamino)propanamide?
The IUPAC name of 2-(but-2-ynylamino)propanamide (CID 62311148) is 2-(but-2-ynylamino)propanamide.
What is the SMILES notation for 2-(but-2-ynylamino)propanamide?
The canonical SMILES for 2-(but-2-ynylamino)propanamide is CC#CCNC(C)C(N)=O.
What is the InChIKey of 2-(but-2-ynylamino)propanamide?
The InChIKey is AKMWXXANHNPBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-3-4-5-9-6(2)7(8)10/h6,9H,5H2,1-2H3,(H2,8,10).
What are the key properties of 2-(but-2-ynylamino)propanamide?
2-(but-2-ynylamino)propanamide has a molecular weight of 140.19 g/mol, XLogP of -0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(but-2-ynylamino)propanamide is sourced from PubChem (CID 62311148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).