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

C14H22N2O2 — CID 114010279

IUPAC4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methylbutanamide
SMILESCC(CN)CC(=O)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C14H22N2O2/c1-11(9-15)7-14(18)16-13(10-17)8-12-5-3-2-4-6-12/h2-6,11,13,17H,7-10,15H2,1H3,(H,16,18)/t11?,13-/m0/s1
InChIKeyTYQNGGAPURYXES-YUZLPWPTSA-N
MW250.34 g/mol
LogP0.69
Rot. Bonds7

About 4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methylbutanamide

4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methylbutanamide (PubChem CID 114010279) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methylbutanamide
PubChem CID114010279
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methylbutanamide
SMILESCC(CN)CC(=O)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C14H22N2O2/c1-11(9-15)7-14(18)16-13(10-17)8-12-5-3-2-4-6-12/h2-6,11,13,17H,7-10,15H2,1H3,(H,16,18)/t11?,13-/m0/s1
InChIKeyTYQNGGAPURYXES-YUZLPWPTSA-N
XLogP0.69
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
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

6-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylhexanamide
CID 107863098
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3,4,4-trimethylpentanamide
CID 107861443
N,N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]butanediamide
CID 102096047
3-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5,5-dimethylhexanamide
CID 107863107
4-amino-N-(2-hydroxy-1-phenylethyl)-3-methylbutanamide
CID 81080405
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-propan-2-ylsulfanylacetamide
CID 102673901
5-amino-N-(1-hydroxy-3-phenylpropan-2-yl)hexanamide
CID 82851763
5-amino-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]hexanamide
CID 107860949
2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylbutanamide
CID 55168250
(2S)-2-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methylbutanamide
CID 10988719
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methoxyacetamide
CID 101173549
(2R)-2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylbutanamide
CID 79013366

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methylbutanamide?
The IUPAC name of 4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methylbutanamide (CID 114010279) is 4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methylbutanamide.
What is the SMILES notation for 4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methylbutanamide?
The canonical SMILES for 4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methylbutanamide is CC(CN)CC(=O)N[C@H](CO)Cc1ccccc1.
What is the InChIKey of 4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methylbutanamide?
The InChIKey is TYQNGGAPURYXES-YUZLPWPTSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(9-15)7-14(18)16-13(10-17)8-12-5-3-2-4-6-12/h2-6,11,13,17H,7-10,15H2,1H3,(H,16,18)/t11?,13-/m0/s1.
What are the key properties of 4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methylbutanamide?
4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methylbutanamide has a molecular weight of 250.34 g/mol, XLogP of 0.69, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methylbutanamide is sourced from PubChem (CID 114010279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).