2-amino-N-but-3-yn-2-ylpropanamide

C7H12N2O — CID 114417070

IUPAC2-amino-N-but-3-yn-2-ylpropanamide
SMILESC#CC(C)NC(=O)C(C)N
InChIInChI=1S/C7H12N2O/c1-4-5(2)9-7(10)6(3)8/h1,5-6H,8H2,2-3H3,(H,9,10)
InChIKeyMHBKSSCVZRVAGQ-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.53
Rot. Bonds2

About 2-amino-N-but-3-yn-2-ylpropanamide

2-amino-N-but-3-yn-2-ylpropanamide (PubChem CID 114417070) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 2-amino-N-but-3-yn-2-ylpropanamide.

Molecular Properties

Compound Name2-amino-N-but-3-yn-2-ylpropanamide
PubChem CID114417070
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name2-amino-N-but-3-yn-2-ylpropanamide
SMILESC#CC(C)NC(=O)C(C)N
InChIInChI=1S/C7H12N2O/c1-4-5(2)9-7(10)6(3)8/h1,5-6H,8H2,2-3H3,(H,9,10)
InChIKeyMHBKSSCVZRVAGQ-UHFFFAOYSA-N
XLogP-0.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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'}

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Related Compounds

(2R)-2-amino-N-but-3-yn-2-yl-3-methylbutanamide
CID 104921675
N-but-3-yn-2-yl-2-hydroxypropanamide
CID 126994434
(2R)-2-amino-N-but-3-yn-2-yl-4-methylpentanamide
CID 104921655
N-but-3-yn-2-yl-2,2-difluoroacetamide
CID 103514717
(2S)-2-[[(2S)-2-aminopropanoyl]amino]but-3-ynoic acid
CID 137459182
N-but-3-yn-2-yl-2-(methylamino)propanamide
CID 114417110
2-bromo-N-but-3-yn-2-yl-3-methylbutanamide
CID 114415729
(2R)-2-amino-N-but-3-yn-2-yl-2-phenylacetamide
CID 104921668
3-amino-N-but-3-yn-2-yl-2,2,3-trimethylbutanamide
CID 114417192
(2R)-2-amino-N-(1-amino-1-oxopropan-2-yl)propanamide
CID 78972368
1-but-3-yn-2-yl-3-(3-methylbutan-2-yl)urea
CID 130891248
N,N'-bis(but-3-yn-2-yl)decanediamide
CID 142746556

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-but-3-yn-2-ylpropanamide?
The IUPAC name of 2-amino-N-but-3-yn-2-ylpropanamide (CID 114417070) is 2-amino-N-but-3-yn-2-ylpropanamide.
What is the SMILES notation for 2-amino-N-but-3-yn-2-ylpropanamide?
The canonical SMILES for 2-amino-N-but-3-yn-2-ylpropanamide is C#CC(C)NC(=O)C(C)N.
What is the InChIKey of 2-amino-N-but-3-yn-2-ylpropanamide?
The InChIKey is MHBKSSCVZRVAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-4-5(2)9-7(10)6(3)8/h1,5-6H,8H2,2-3H3,(H,9,10).
What are the key properties of 2-amino-N-but-3-yn-2-ylpropanamide?
2-amino-N-but-3-yn-2-ylpropanamide has a molecular weight of 140.19 g/mol, XLogP of -0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-but-3-yn-2-ylpropanamide is sourced from PubChem (CID 114417070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).