(2S)-2-amino-N-[(3R)-3-hydroxybutyl]-3-phenylpropanamide

C13H20N2O2 — CID 97183881

IUPAC(2S)-2-amino-N-[(3R)-3-hydroxybutyl]-3-phenylpropanamide
SMILESC[C@@H](O)CCNC(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C13H20N2O2/c1-10(16)7-8-15-13(17)12(14)9-11-5-3-2-4-6-11/h2-6,10,12,16H,7-9,14H2,1H3,(H,15,17)/t10-,12+/m1/s1
InChIKeyODXUEWLSONYSTE-PWSUYJOCSA-N
MW236.32 g/mol
LogP0.44
Rot. Bonds6

About (2S)-2-amino-N-[(3R)-3-hydroxybutyl]-3-phenylpropanamide

(2S)-2-amino-N-[(3R)-3-hydroxybutyl]-3-phenylpropanamide (PubChem CID 97183881) has the molecular formula C13H20N2O2 and a molecular weight of 236.32 g/mol. Its IUPAC name is (2S)-2-amino-N-[(3R)-3-hydroxybutyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(3R)-3-hydroxybutyl]-3-phenylpropanamide
PubChem CID97183881
Molecular FormulaC13H20N2O2
Molecular Weight236.32 g/mol
Exact Mass236.15
IUPAC Name(2S)-2-amino-N-[(3R)-3-hydroxybutyl]-3-phenylpropanamide
SMILESC[C@@H](O)CCNC(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C13H20N2O2/c1-10(16)7-8-15-13(17)12(14)9-11-5-3-2-4-6-11/h2-6,10,12,16H,7-9,14H2,1H3,(H,15,17)/t10-,12+/m1/s1
InChIKeyODXUEWLSONYSTE-PWSUYJOCSA-N
XLogP0.44
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(3-methylbutyl)-3-phenylpropanamide
CID 10399143
2-amino-N-(2-hydroxypropyl)-3-phenylpropanamide
CID 43500101
(2S)-2-amino-N-(5-methylhexyl)-3-phenylpropanamide
CID 81433070
(2S)-2-amino-N-(3-hydroxy-4-methoxybutyl)-3-phenylpropanamide
CID 106247480
N-(3-hydroxybutyl)-3-phenyl-2-sulfanylpropanamide
CID 107031052
(2S)-2-amino-3-phenyl-N-(2-phenylethyl)propanamide;hydrochloride
CID 21308260
(2S)-2-amino-3-(3,4-dihydroxyphenyl)-N-(3-hydroxybutyl)propanamide
CID 64912248
(2R)-2-amino-N-(2-hydroxy-3-methylbutyl)-3-phenylpropanamide
CID 113492232
(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-ethyl-3-phenylpropanamide;hydrochloride
CID 53409094
(2R)-2-amino-N-(2,3-dimethylbutyl)-3-phenylpropanamide
CID 78996657

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(3R)-3-hydroxybutyl]-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-[(3R)-3-hydroxybutyl]-3-phenylpropanamide (CID 97183881) is (2S)-2-amino-N-[(3R)-3-hydroxybutyl]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[(3R)-3-hydroxybutyl]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[(3R)-3-hydroxybutyl]-3-phenylpropanamide is C[C@@H](O)CCNC(=O)[C@@H](N)Cc1ccccc1.
What is the InChIKey of (2S)-2-amino-N-[(3R)-3-hydroxybutyl]-3-phenylpropanamide?
The InChIKey is ODXUEWLSONYSTE-PWSUYJOCSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(16)7-8-15-13(17)12(14)9-11-5-3-2-4-6-11/h2-6,10,12,16H,7-9,14H2,1H3,(H,15,17)/t10-,12+/m1/s1.
What are the key properties of (2S)-2-amino-N-[(3R)-3-hydroxybutyl]-3-phenylpropanamide?
(2S)-2-amino-N-[(3R)-3-hydroxybutyl]-3-phenylpropanamide has a molecular weight of 236.32 g/mol, XLogP of 0.44, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(3R)-3-hydroxybutyl]-3-phenylpropanamide is sourced from PubChem (CID 97183881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).