(2R)-2-amino-N-but-2-ynyl-3-phenylpropanamide

C13H16N2O — CID 104861124

IUPAC(2R)-2-amino-N-but-2-ynyl-3-phenylpropanamide
SMILESCC#CCNC(=O)[C@H](N)Cc1ccccc1
InChIInChI=1S/C13H16N2O/c1-2-3-9-15-13(16)12(14)10-11-7-5-4-6-8-11/h4-8,12H,9-10,14H2,1H3,(H,15,16)/t12-/m1/s1
InChIKeyXLZQSBJEXTTYCH-GFCCVEGCSA-N
MW216.28 g/mol
LogP0.70
Rot. Bonds4

About (2R)-2-amino-N-but-2-ynyl-3-phenylpropanamide

(2R)-2-amino-N-but-2-ynyl-3-phenylpropanamide (PubChem CID 104861124) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is (2R)-2-amino-N-but-2-ynyl-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-but-2-ynyl-3-phenylpropanamide
PubChem CID104861124
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name(2R)-2-amino-N-but-2-ynyl-3-phenylpropanamide
SMILESCC#CCNC(=O)[C@H](N)Cc1ccccc1
InChIInChI=1S/C13H16N2O/c1-2-3-9-15-13(16)12(14)10-11-7-5-4-6-8-11/h4-8,12H,9-10,14H2,1H3,(H,15,16)/t12-/m1/s1
InChIKeyXLZQSBJEXTTYCH-GFCCVEGCSA-N
XLogP0.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.70
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-N-but-2-ynyl-4-phenylbutanamide
CID 114929350
2-amino-N-ethyl-3-phenylpropanamide;hydrochloride
CID 53409094
1-but-2-ynyl-3-(1-hydroxy-3-phenylpropan-2-yl)urea
CID 84597423
2-amino-1-phenylhept-5-yn-3-one
CID 116552422
(2S)-2-amino-3-phenyl-N-(2-phenylethyl)propanamide;hydrochloride
CID 21308260
(2R)-2-amino-N-(2-hydroxy-3-methylbutyl)-3-phenylpropanamide
CID 113492232
2-amino-N-(3-hydroxypropyl)-3-phenylpropanamide
CID 14308256
(2S)-2-amino-N-[2-[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethyldisulfanyl]ethyl]-3-phenylpropanamide
CID 10388888
(2S)-2-amino-N-(3-methylbutyl)-3-phenylpropanamide
CID 10399143
2-amino-N-(2-hydroxypropyl)-3-phenylpropanamide
CID 43500101
(2S)-2-amino-N-[(2S)-2-amino-3-phenylpropanoyl]-3-phenylpropanamide
CID 21116073
(2R)-2-amino-N-(2,3-dimethylbutyl)-3-phenylpropanamide
CID 78996657

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-but-2-ynyl-3-phenylpropanamide?
The IUPAC name of (2R)-2-amino-N-but-2-ynyl-3-phenylpropanamide (CID 104861124) is (2R)-2-amino-N-but-2-ynyl-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-amino-N-but-2-ynyl-3-phenylpropanamide?
The canonical SMILES for (2R)-2-amino-N-but-2-ynyl-3-phenylpropanamide is CC#CCNC(=O)[C@H](N)Cc1ccccc1.
What is the InChIKey of (2R)-2-amino-N-but-2-ynyl-3-phenylpropanamide?
The InChIKey is XLZQSBJEXTTYCH-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H16N2O/c1-2-3-9-15-13(16)12(14)10-11-7-5-4-6-8-11/h4-8,12H,9-10,14H2,1H3,(H,15,16)/t12-/m1/s1.
What are the key properties of (2R)-2-amino-N-but-2-ynyl-3-phenylpropanamide?
(2R)-2-amino-N-but-2-ynyl-3-phenylpropanamide has a molecular weight of 216.28 g/mol, XLogP of 0.70, 4 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-2-ynyl-3-phenylpropanamide is sourced from PubChem (CID 104861124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).