(2R)-2-amino-N-(2-hydroxy-3-methylbutyl)-3-phenylpropanamide

C14H22N2O2 — CID 113492232

IUPAC(2R)-2-amino-N-(2-hydroxy-3-methylbutyl)-3-phenylpropanamide
SMILESCC(C)C(O)CNC(=O)[C@H](N)Cc1ccccc1
InChIInChI=1S/C14H22N2O2/c1-10(2)13(17)9-16-14(18)12(15)8-11-6-4-3-5-7-11/h3-7,10,12-13,17H,8-9,15H2,1-2H3,(H,16,18)/t12-,13?/m1/s1
InChIKeyXYCWCXDGNRBDMR-PZORYLMUSA-N
MW250.34 g/mol
LogP0.69
Rot. Bonds6

About (2R)-2-amino-N-(2-hydroxy-3-methylbutyl)-3-phenylpropanamide

(2R)-2-amino-N-(2-hydroxy-3-methylbutyl)-3-phenylpropanamide (PubChem CID 113492232) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-hydroxy-3-methylbutyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-hydroxy-3-methylbutyl)-3-phenylpropanamide
PubChem CID113492232
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name(2R)-2-amino-N-(2-hydroxy-3-methylbutyl)-3-phenylpropanamide
SMILESCC(C)C(O)CNC(=O)[C@H](N)Cc1ccccc1
InChIInChI=1S/C14H22N2O2/c1-10(2)13(17)9-16-14(18)12(15)8-11-6-4-3-5-7-11/h3-7,10,12-13,17H,8-9,15H2,1-2H3,(H,16,18)/t12-,13?/m1/s1
InChIKeyXYCWCXDGNRBDMR-PZORYLMUSA-N
XLogP0.69
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2-hydroxypropyl)-3-phenylpropanamide
CID 43500101
(2R)-2-amino-N-(2,3-dimethylbutyl)-3-phenylpropanamide
CID 78996657
(2S)-2-amino-N-(3,3-difluoro-2-hydroxypropyl)-3-phenylpropanamide
CID 103796488
2-amino-N-(2-methylbutyl)-3-phenylpropanamide
CID 55108121
2-amino-N-(3-methyl-2-phenylbutyl)-3-phenylpropanamide;hydrochloride
CID 119294110
(2S)-2-amino-N-[(3R)-3-hydroxybutyl]-3-phenylpropanamide
CID 97183881
(2R)-2-amino-N-(2-hydroxypentyl)-3-phenylpropanamide
CID 103796801
(2R)-2-amino-N-(3-methoxy-2-methylpropyl)-3-phenylpropanamide
CID 78985598
(2S)-2-amino-N-(3-methylbutyl)-3-phenylpropanamide
CID 10399143
(2R)-2-amino-N-but-2-ynyl-3-phenylpropanamide
CID 104861124
2-amino-N-ethyl-3-phenylpropanamide;hydrochloride
CID 53409094
(2R)-2-amino-3-phenyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 103795784

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2-hydroxy-3-methylbutyl)-3-phenylpropanamide?
The IUPAC name of (2R)-2-amino-N-(2-hydroxy-3-methylbutyl)-3-phenylpropanamide (CID 113492232) is (2R)-2-amino-N-(2-hydroxy-3-methylbutyl)-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-amino-N-(2-hydroxy-3-methylbutyl)-3-phenylpropanamide?
The canonical SMILES for (2R)-2-amino-N-(2-hydroxy-3-methylbutyl)-3-phenylpropanamide is CC(C)C(O)CNC(=O)[C@H](N)Cc1ccccc1.
What is the InChIKey of (2R)-2-amino-N-(2-hydroxy-3-methylbutyl)-3-phenylpropanamide?
The InChIKey is XYCWCXDGNRBDMR-PZORYLMUSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(2)13(17)9-16-14(18)12(15)8-11-6-4-3-5-7-11/h3-7,10,12-13,17H,8-9,15H2,1-2H3,(H,16,18)/t12-,13?/m1/s1.
What are the key properties of (2R)-2-amino-N-(2-hydroxy-3-methylbutyl)-3-phenylpropanamide?
(2R)-2-amino-N-(2-hydroxy-3-methylbutyl)-3-phenylpropanamide has a molecular weight of 250.34 g/mol, XLogP of 0.69, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2-hydroxy-3-methylbutyl)-3-phenylpropanamide is sourced from PubChem (CID 113492232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).