(2S)-2-amino-N-(3-methylbutyl)-3-phenylpropanamide

C14H22N2O — CID 10399143

IUPAC(2S)-2-amino-N-(3-methylbutyl)-3-phenylpropanamide
SMILESCC(C)CCNC(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C14H22N2O/c1-11(2)8-9-16-14(17)13(15)10-12-6-4-3-5-7-12/h3-7,11,13H,8-10,15H2,1-2H3,(H,16,17)/t13-/m0/s1
InChIKeyXFYCBJHUCMXATG-ZDUSSCGKSA-N
MW234.34 g/mol
LogP1.72
Rot. Bonds6

About (2S)-2-amino-N-(3-methylbutyl)-3-phenylpropanamide

(2S)-2-amino-N-(3-methylbutyl)-3-phenylpropanamide (PubChem CID 10399143) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-methylbutyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-methylbutyl)-3-phenylpropanamide
PubChem CID10399143
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name(2S)-2-amino-N-(3-methylbutyl)-3-phenylpropanamide
SMILESCC(C)CCNC(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C14H22N2O/c1-11(2)8-9-16-14(17)13(15)10-12-6-4-3-5-7-12/h3-7,11,13H,8-10,15H2,1-2H3,(H,16,17)/t13-/m0/s1
InChIKeyXFYCBJHUCMXATG-ZDUSSCGKSA-N
XLogP1.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(5-methylhexyl)-3-phenylpropanamide
CID 81433070
(2S)-2-amino-N-[(3R)-3-hydroxybutyl]-3-phenylpropanamide
CID 97183881
(2S)-2-amino-3-phenyl-N-(2-phenylethyl)propanamide;hydrochloride
CID 21308260
(2S)-2-amino-N-[2-[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethyldisulfanyl]ethyl]-3-phenylpropanamide
CID 10388888
2-amino-N-(3-hydroxypropyl)-3-phenylpropanamide
CID 14308256
2-amino-N-(2-hydroxypropyl)-3-phenylpropanamide
CID 43500101
2-amino-N-ethyl-3-phenylpropanamide;hydrochloride
CID 53409094
(2S)-2-amino-N-(3-hydroxy-4-methoxybutyl)-3-phenylpropanamide
CID 106247480
(2R)-2-amino-N-(2,3-dimethylbutyl)-3-phenylpropanamide
CID 78996657
(2S)-2-amino-N-(3,3-dimethylbutyl)-3-phenylpropanamide
CID 83306119
(2R)-2-amino-N-(2-hydroxy-3-methylbutyl)-3-phenylpropanamide
CID 113492232
(2S)-2-amino-N-(3,3-dimethylbutyl)-3-phenylpropanamide;hydrochloride
CID 119279534

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-methylbutyl)-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-(3-methylbutyl)-3-phenylpropanamide (CID 10399143) is (2S)-2-amino-N-(3-methylbutyl)-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-(3-methylbutyl)-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-(3-methylbutyl)-3-phenylpropanamide is CC(C)CCNC(=O)[C@@H](N)Cc1ccccc1.
What is the InChIKey of (2S)-2-amino-N-(3-methylbutyl)-3-phenylpropanamide?
The InChIKey is XFYCBJHUCMXATG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11(2)8-9-16-14(17)13(15)10-12-6-4-3-5-7-12/h3-7,11,13H,8-10,15H2,1-2H3,(H,16,17)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-(3-methylbutyl)-3-phenylpropanamide?
(2S)-2-amino-N-(3-methylbutyl)-3-phenylpropanamide has a molecular weight of 234.34 g/mol, XLogP of 1.72, 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-(3-methylbutyl)-3-phenylpropanamide is sourced from PubChem (CID 10399143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).