(1S)-1-amino-2-methyl-1-phenylpropan-2-ol;methyl (2S)-2-amino-2-phenylacetate

C19H26N2O3 — CID 159907951

IUPAC(1S)-1-amino-2-methyl-1-phenylpropan-2-ol;methyl (2S)-2-amino-2-phenylacetate
SMILESCC(C)(O)[C@@H](N)c1ccccc1.COC(=O)[C@@H](N)c1ccccc1
InChIInChI=1S/C10H15NO.C9H11NO2/c1-10(2,12)9(11)8-6-4-3-5-7-8;1-12-9(11)8(10)7-5-3-2-4-6-7/h3-7,9,12H,11H2,1-2H3;2-6,8H,10H2,1H3/t9-;8-/m00/s1
InChIKeyNWUSUXMEQWGCNB-PVSSEACSSA-N
MW330.43 g/mol
LogP2.32
Rot. Bonds4

About (1S)-1-amino-2-methyl-1-phenylpropan-2-ol;methyl (2S)-2-amino-2-phenylacetate

(1S)-1-amino-2-methyl-1-phenylpropan-2-ol;methyl (2S)-2-amino-2-phenylacetate (PubChem CID 159907951) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is (1S)-1-amino-2-methyl-1-phenylpropan-2-ol;methyl (2S)-2-amino-2-phenylacetate.

Molecular Properties

Compound Name(1S)-1-amino-2-methyl-1-phenylpropan-2-ol;methyl (2S)-2-amino-2-phenylacetate
PubChem CID159907951
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name(1S)-1-amino-2-methyl-1-phenylpropan-2-ol;methyl (2S)-2-amino-2-phenylacetate
SMILESCC(C)(O)[C@@H](N)c1ccccc1.COC(=O)[C@@H](N)c1ccccc1
InChIInChI=1S/C10H15NO.C9H11NO2/c1-10(2,12)9(11)8-6-4-3-5-7-8;1-12-9(11)8(10)7-5-3-2-4-6-7/h3-7,9,12H,11H2,1-2H3;2-6,8H,10H2,1H3/t9-;8-/m00/s1
InChIKeyNWUSUXMEQWGCNB-PVSSEACSSA-N
XLogP2.32
TPSA98.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

acetyl chloride;methyl (2R)-2-amino-2-phenylacetate;hydrochloride
CID 161383135
methyl 3-amino-2,2-dimethyl-3-phenylpropanoate;hydrochloride
CID 14426986
methyl (2R)-2-amino-2-(3-phenylphenyl)acetate;hydrochloride
CID 171234245
methyl (2S)-2-[(R)-methoxy(phenyl)methyl]-3,3-dimethylbutanoate
CID 10538647
methyl (2R)-2-[(R)-methoxy(phenyl)methyl]-3,3-dimethylbutanoate
CID 10658335
methyl 2-amino-2-phenylacetate;methyl 2-(benzylideneamino)-2-phenylacetate
CID 158119010
(2R,3R)-2,3-diamino-2-methyl-3-phenylpropanoic acid
CID 24999684
ethyl (2R)-2-amino-2-phenylacetate
CID 6922658
methyl 2-amino-2-(3-propan-2-ylphenyl)acetate
CID 20824071
dimethyl 2-phenylpropanedioate;ethane
CID 91499304
2-methoxy-2-methyl-1-phenylpropan-1-amine
CID 76606196
ethyl 2-amino-2-phenylacetate chloride
CID 3083657

Frequently Asked Questions

What is the IUPAC name of (1S)-1-amino-2-methyl-1-phenylpropan-2-ol;methyl (2S)-2-amino-2-phenylacetate?
The IUPAC name of (1S)-1-amino-2-methyl-1-phenylpropan-2-ol;methyl (2S)-2-amino-2-phenylacetate (CID 159907951) is (1S)-1-amino-2-methyl-1-phenylpropan-2-ol;methyl (2S)-2-amino-2-phenylacetate.
What is the SMILES notation for (1S)-1-amino-2-methyl-1-phenylpropan-2-ol;methyl (2S)-2-amino-2-phenylacetate?
The canonical SMILES for (1S)-1-amino-2-methyl-1-phenylpropan-2-ol;methyl (2S)-2-amino-2-phenylacetate is CC(C)(O)[C@@H](N)c1ccccc1.COC(=O)[C@@H](N)c1ccccc1.
What is the InChIKey of (1S)-1-amino-2-methyl-1-phenylpropan-2-ol;methyl (2S)-2-amino-2-phenylacetate?
The InChIKey is NWUSUXMEQWGCNB-PVSSEACSSA-N. The full InChI is InChI=1S/C10H15NO.C9H11NO2/c1-10(2,12)9(11)8-6-4-3-5-7-8;1-12-9(11)8(10)7-5-3-2-4-6-7/h3-7,9,12H,11H2,1-2H3;2-6,8H,10H2,1H3/t9-;8-/m00/s1.
What are the key properties of (1S)-1-amino-2-methyl-1-phenylpropan-2-ol;methyl (2S)-2-amino-2-phenylacetate?
(1S)-1-amino-2-methyl-1-phenylpropan-2-ol;methyl (2S)-2-amino-2-phenylacetate has a molecular weight of 330.43 g/mol, XLogP of 2.32, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-amino-2-methyl-1-phenylpropan-2-ol;methyl (2S)-2-amino-2-phenylacetate is sourced from PubChem (CID 159907951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).