(2S,3R)-3-amino-2-hydroxy-N-methoxy-N-methyl-4-phenylbutanamide

C12H18N2O3 — CID 57222497

IUPAC(2S,3R)-3-amino-2-hydroxy-N-methoxy-N-methyl-4-phenylbutanamide
SMILESCON(C)C(=O)[C@@H](O)[C@H](N)Cc1ccccc1
InChIInChI=1S/C12H18N2O3/c1-14(17-2)12(16)11(15)10(13)8-9-6-4-3-5-7-9/h3-7,10-11,15H,8,13H2,1-2H3/t10-,11+/m1/s1
InChIKeyOWXXVFAFDNRKRB-MNOVXSKESA-N
MW238.29 g/mol
LogP-0.06
Rot. Bonds5

About (2S,3R)-3-amino-2-hydroxy-N-methoxy-N-methyl-4-phenylbutanamide

(2S,3R)-3-amino-2-hydroxy-N-methoxy-N-methyl-4-phenylbutanamide (PubChem CID 57222497) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is (2S,3R)-3-amino-2-hydroxy-N-methoxy-N-methyl-4-phenylbutanamide.

Molecular Properties

Compound Name(2S,3R)-3-amino-2-hydroxy-N-methoxy-N-methyl-4-phenylbutanamide
PubChem CID57222497
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name(2S,3R)-3-amino-2-hydroxy-N-methoxy-N-methyl-4-phenylbutanamide
SMILESCON(C)C(=O)[C@@H](O)[C@H](N)Cc1ccccc1
InChIInChI=1S/C12H18N2O3/c1-14(17-2)12(16)11(15)10(13)8-9-6-4-3-5-7-9/h3-7,10-11,15H,8,13H2,1-2H3/t10-,11+/m1/s1
InChIKeyOWXXVFAFDNRKRB-MNOVXSKESA-N
XLogP-0.06
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-N-methoxy-N-methyl-3-phenylpropanamide
CID 22910157
[3-hydroxy-4-[methoxy(methyl)amino]-4-oxo-1-phenylbutan-2-yl]carbamic acid
CID 22593860
ethyl 2-benzyl-3-[methoxy(methyl)amino]-3-oxopropanoate
CID 59364045
tert-butyl (2R)-3-amino-2-hydroxy-4-phenylbutanoate
CID 68838007
tert-butyl (2S,3R)-3-amino-2-hydroxy-4-phenylbutanoate
CID 7021090
2-fluoro-N-methoxy-N-methyl-3-phenylpropanamide
CID 22910298
(3R,4S)-4-amino-3-hydroxy-5-phenylpentan-2-one
CID 59897360
[1-[methoxy(methyl)amino]-1-oxo-3-phenylpropan-2-yl] carbamate
CID 175073150
benzyl 2-[(2R,3S)-3-amino-1-[methoxy(methyl)amino]-1-oxo-4-phenylbutan-2-yl]oxyacetate;hydrochloride
CID 86584507
acetic acid;tert-butyl (2S,3S)-3-amino-2-hydroxy-4-phenylbutanoate
CID 162225778
[1-[methoxy(methyl)amino]-1-oxo-3-phenylpropan-2-yl]-methylcarbamic acid
CID 135349152
(2S,3S)-3-amino-2-hydroxy-4-phenylbutanamide
CID 57194593

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-amino-2-hydroxy-N-methoxy-N-methyl-4-phenylbutanamide?
The IUPAC name of (2S,3R)-3-amino-2-hydroxy-N-methoxy-N-methyl-4-phenylbutanamide (CID 57222497) is (2S,3R)-3-amino-2-hydroxy-N-methoxy-N-methyl-4-phenylbutanamide.
What is the SMILES notation for (2S,3R)-3-amino-2-hydroxy-N-methoxy-N-methyl-4-phenylbutanamide?
The canonical SMILES for (2S,3R)-3-amino-2-hydroxy-N-methoxy-N-methyl-4-phenylbutanamide is CON(C)C(=O)[C@@H](O)[C@H](N)Cc1ccccc1.
What is the InChIKey of (2S,3R)-3-amino-2-hydroxy-N-methoxy-N-methyl-4-phenylbutanamide?
The InChIKey is OWXXVFAFDNRKRB-MNOVXSKESA-N. The full InChI is InChI=1S/C12H18N2O3/c1-14(17-2)12(16)11(15)10(13)8-9-6-4-3-5-7-9/h3-7,10-11,15H,8,13H2,1-2H3/t10-,11+/m1/s1.
What are the key properties of (2S,3R)-3-amino-2-hydroxy-N-methoxy-N-methyl-4-phenylbutanamide?
(2S,3R)-3-amino-2-hydroxy-N-methoxy-N-methyl-4-phenylbutanamide has a molecular weight of 238.29 g/mol, XLogP of -0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-amino-2-hydroxy-N-methoxy-N-methyl-4-phenylbutanamide is sourced from PubChem (CID 57222497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).