(2R)-2-amino-N-but-3-yn-2-yl-2-phenylacetamide

C12H14N2O — CID 104921668

IUPAC(2R)-2-amino-N-but-3-yn-2-yl-2-phenylacetamide
SMILESC#CC(C)NC(=O)[C@H](N)c1ccccc1
InChIInChI=1S/C12H14N2O/c1-3-9(2)14-12(15)11(13)10-7-5-4-6-8-10/h1,4-9,11H,13H2,2H3,(H,14,15)/t9?,11-/m1/s1
InChIKeyOMPLSEAPYTZTIA-HCCKASOXSA-N
MW202.26 g/mol
LogP0.82
Rot. Bonds3

About (2R)-2-amino-N-but-3-yn-2-yl-2-phenylacetamide

(2R)-2-amino-N-but-3-yn-2-yl-2-phenylacetamide (PubChem CID 104921668) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is (2R)-2-amino-N-but-3-yn-2-yl-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-amino-N-but-3-yn-2-yl-2-phenylacetamide
PubChem CID104921668
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name(2R)-2-amino-N-but-3-yn-2-yl-2-phenylacetamide
SMILESC#CC(C)NC(=O)[C@H](N)c1ccccc1
InChIInChI=1S/C12H14N2O/c1-3-9(2)14-12(15)11(13)10-7-5-4-6-8-10/h1,4-9,11H,13H2,2H3,(H,14,15)/t9?,11-/m1/s1
InChIKeyOMPLSEAPYTZTIA-HCCKASOXSA-N
XLogP0.82
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 50.82
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

2-amino-2-phenyl-N-propan-2-ylacetamide;hydrochloride
CID 22262716
2-amino-2-phenyl-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide
CID 119269403
(2R)-2-amino-N-[(1R)-1-(4-methylphenyl)ethyl]-2-phenylacetamide
CID 81357033
2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-phenylacetamide
CID 81359115
2-amino-N-[(2R)-1-hydroxypropan-2-yl]-2-phenylacetamide
CID 107218501
3-[[(2S)-2-amino-2-phenylacetyl]amino]-2-methylbutanoic acid
CID 104898381
(2S)-2-amino-N-[1-(4-chlorophenyl)ethyl]-2-phenylacetamide
CID 104897669
2-amino-N-(5-methylhexan-2-yl)-2-phenylacetamide
CID 43579340
(2S)-2-amino-N-pentan-2-yl-2-phenylacetamide
CID 104897097
2-amino-N-[1-(3,5-dimethylphenyl)ethyl]-2-phenylacetamide;hydrochloride
CID 119320621
(2S)-2-amino-N-(4-hydroxypentan-2-yl)-2-phenylacetamide
CID 104898348
2-amino-2-phenyl-N-(4-phenylbutan-2-yl)acetamide
CID 61254237

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-but-3-yn-2-yl-2-phenylacetamide?
The IUPAC name of (2R)-2-amino-N-but-3-yn-2-yl-2-phenylacetamide (CID 104921668) is (2R)-2-amino-N-but-3-yn-2-yl-2-phenylacetamide.
What is the SMILES notation for (2R)-2-amino-N-but-3-yn-2-yl-2-phenylacetamide?
The canonical SMILES for (2R)-2-amino-N-but-3-yn-2-yl-2-phenylacetamide is C#CC(C)NC(=O)[C@H](N)c1ccccc1.
What is the InChIKey of (2R)-2-amino-N-but-3-yn-2-yl-2-phenylacetamide?
The InChIKey is OMPLSEAPYTZTIA-HCCKASOXSA-N. The full InChI is InChI=1S/C12H14N2O/c1-3-9(2)14-12(15)11(13)10-7-5-4-6-8-10/h1,4-9,11H,13H2,2H3,(H,14,15)/t9?,11-/m1/s1.
What are the key properties of (2R)-2-amino-N-but-3-yn-2-yl-2-phenylacetamide?
(2R)-2-amino-N-but-3-yn-2-yl-2-phenylacetamide has a molecular weight of 202.26 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-but-3-yn-2-yl-2-phenylacetamide is sourced from PubChem (CID 104921668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).