(2S)-2-amino-N-hex-1-yn-3-yl-3-phenylpropanamide

C15H20N2O — CID 106230687

IUPAC(2S)-2-amino-N-hex-1-yn-3-yl-3-phenylpropanamide
SMILESC#CC(CCC)NC(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C15H20N2O/c1-3-8-13(4-2)17-15(18)14(16)11-12-9-6-5-7-10-12/h2,5-7,9-10,13-14H,3,8,11,16H2,1H3,(H,17,18)/t13?,14-/m0/s1
InChIKeyQAYYDAMYKILHQY-KZUDCZAMSA-N
MW244.34 g/mol
LogP1.47
Rot. Bonds6

About (2S)-2-amino-N-hex-1-yn-3-yl-3-phenylpropanamide

(2S)-2-amino-N-hex-1-yn-3-yl-3-phenylpropanamide (PubChem CID 106230687) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is (2S)-2-amino-N-hex-1-yn-3-yl-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-hex-1-yn-3-yl-3-phenylpropanamide
PubChem CID106230687
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name(2S)-2-amino-N-hex-1-yn-3-yl-3-phenylpropanamide
SMILESC#CC(CCC)NC(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C15H20N2O/c1-3-8-13(4-2)17-15(18)14(16)11-12-9-6-5-7-10-12/h2,5-7,9-10,13-14H,3,8,11,16H2,1H3,(H,17,18)/t13?,14-/m0/s1
InChIKeyQAYYDAMYKILHQY-KZUDCZAMSA-N
XLogP1.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.47
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

(2S)-2-amino-N-pent-1-yn-3-yl-3-phenylpropanamide
CID 106230408
(2S)-2-[(2-amino-3-phenylpropanoyl)amino]pentanoic acid
CID 103869775
(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]but-3-ynamide
CID 166765594
2-amino-3-phenyl-N-propan-2-ylpropanamide
CID 15926064
2-amino-N-octan-2-yl-3-phenylpropanamide
CID 43711429
(2R)-2-amino-N-octan-2-yl-3-phenylpropanamide
CID 78985477
(2R)-2-amino-N-butan-2-yl-3-phenylpropanamide
CID 78985447
(2R)-2-(2-aminopentanoylamino)-3-phenylpropanoic acid
CID 103869019
(2S)-2-amino-N-[1-oxo-1-(propylamino)propan-2-yl]-3-phenylpropanamide
CID 61180741
(2R)-2-amino-3-phenyl-N-(1-thiophen-2-ylbutyl)propanamide
CID 78984626
(2S)-2-amino-N-[(1S)-1-cyano-2-phenylethyl]butanamide
CID 11736400
(2R)-2-amino-N-(2-hydroxypentyl)-3-phenylpropanamide
CID 103796801

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-hex-1-yn-3-yl-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-hex-1-yn-3-yl-3-phenylpropanamide (CID 106230687) is (2S)-2-amino-N-hex-1-yn-3-yl-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-hex-1-yn-3-yl-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-hex-1-yn-3-yl-3-phenylpropanamide is C#CC(CCC)NC(=O)[C@@H](N)Cc1ccccc1.
What is the InChIKey of (2S)-2-amino-N-hex-1-yn-3-yl-3-phenylpropanamide?
The InChIKey is QAYYDAMYKILHQY-KZUDCZAMSA-N. The full InChI is InChI=1S/C15H20N2O/c1-3-8-13(4-2)17-15(18)14(16)11-12-9-6-5-7-10-12/h2,5-7,9-10,13-14H,3,8,11,16H2,1H3,(H,17,18)/t13?,14-/m0/s1.
What are the key properties of (2S)-2-amino-N-hex-1-yn-3-yl-3-phenylpropanamide?
(2S)-2-amino-N-hex-1-yn-3-yl-3-phenylpropanamide has a molecular weight of 244.34 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-hex-1-yn-3-yl-3-phenylpropanamide is sourced from PubChem (CID 106230687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).