2-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpropanamide

C13H20N2O2 — CID 15660575

IUPAC2-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpropanamide
SMILESCC(C)(N)C(=O)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C13H20N2O2/c1-13(2,14)12(17)15-11(9-16)8-10-6-4-3-5-7-10/h3-7,11,16H,8-9,14H2,1-2H3,(H,15,17)/t11-/m0/s1
InChIKeyYMFPLLDGZDSDSH-NSHDSACASA-N
MW236.31 g/mol
LogP0.44
Rot. Bonds5

About 2-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpropanamide

2-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpropanamide (PubChem CID 15660575) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpropanamide
PubChem CID15660575
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpropanamide
SMILESCC(C)(N)C(=O)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C13H20N2O2/c1-13(2,14)12(17)15-11(9-16)8-10-6-4-3-5-7-10/h3-7,11,16H,8-9,14H2,1-2H3,(H,15,17)/t11-/m0/s1
InChIKeyYMFPLLDGZDSDSH-NSHDSACASA-N
XLogP0.44
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3,3,3-trifluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpropanamide
CID 107861005
2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-2-methylpentanamide
CID 63261623
2-[(2-amino-2-methylpropanoyl)amino]-3-phenylpropanoic acid
CID 61265643
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-2,2-dimethyl-4-oxobutanoic acid
CID 107862064
tert-butyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate;sulfane
CID 159653133
(2S)-2-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methylbutanamide
CID 10988719
(2R)-2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylbutanamide
CID 79013366
2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylbutanamide
CID 55168250
N,N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]butanediamide
CID 102096047
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3,4,4-trimethylpentanamide
CID 107861443
6-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-4,4-dimethylhexanamide
CID 65291089

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpropanamide?
The IUPAC name of 2-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpropanamide (CID 15660575) is 2-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpropanamide is CC(C)(N)C(=O)N[C@H](CO)Cc1ccccc1.
What is the InChIKey of 2-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpropanamide?
The InChIKey is YMFPLLDGZDSDSH-NSHDSACASA-N. The full InChI is InChI=1S/C13H20N2O2/c1-13(2,14)12(17)15-11(9-16)8-10-6-4-3-5-7-10/h3-7,11,16H,8-9,14H2,1-2H3,(H,15,17)/t11-/m0/s1.
What are the key properties of 2-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpropanamide?
2-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpropanamide has a molecular weight of 236.31 g/mol, XLogP of 0.44, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 15660575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).