(2S)-2-amino-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)-3-(4-phenylphenyl)propan-1-one

C20H24N2O2 — CID 23645383

IUPAC(2S)-2-amino-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)-3-(4-phenylphenyl)propan-1-one
SMILESCC1(C)OCCN1C(=O)[C@@H](N)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H24N2O2/c1-20(2)22(12-13-24-20)19(23)18(21)14-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11,18H,12-14,21H2,1-2H3/t18-/m0/s1
InChIKeyIZGKGABELDQRQG-SFHVURJKSA-N
MW324.42 g/mol
LogP2.82
Rot. Bonds4

About (2S)-2-amino-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)-3-(4-phenylphenyl)propan-1-one

(2S)-2-amino-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)-3-(4-phenylphenyl)propan-1-one (PubChem CID 23645383) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is (2S)-2-amino-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)-3-(4-phenylphenyl)propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)-3-(4-phenylphenyl)propan-1-one
PubChem CID23645383
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name(2S)-2-amino-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)-3-(4-phenylphenyl)propan-1-one
SMILESCC1(C)OCCN1C(=O)[C@@H](N)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H24N2O2/c1-20(2)22(12-13-24-20)19(23)18(21)14-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11,18H,12-14,21H2,1-2H3/t18-/m0/s1
InChIKeyIZGKGABELDQRQG-SFHVURJKSA-N
XLogP2.82
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-(3,3-dimethylmorpholin-4-yl)-3-phenylpropan-1-one
CID 61430243
(2S)-2-amino-3-[4-(4-phenylphenyl)phenyl]propanoic acid;hydrochloride
CID 70131876
(3R)-3-amino-4-(4-phenylphenyl)butan-2-one
CID 159098025
(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-3-phenylpropan-1-one;hydrochloride
CID 119294272
3-amino-4-(4-phenylphenyl)butan-2-one;ethane
CID 176709550
2-amino-1-(2,2-dimethyl-4-oxidopiperazin-1-yl)-3-phenylpropan-1-one
CID 88695197
(2S)-2-amino-3-phenylpropanoic acid;1,1'-biphenyl
CID 67133421
tert-butyl 2-amino-3-(4-phenylphenyl)propanoate;hydrochloride
CID 141206452
(2S)-2-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 2087046
2-amino-3-(4-phenylphenyl)propanoic acid;(2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid
CID 66615741
2-amino-1-(3,3-dimethylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119295543
2-amino-1-[(2S)-2-methyloxiran-2-yl]-3-phenylpropan-1-one
CID 144572349

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)-3-(4-phenylphenyl)propan-1-one?
The IUPAC name of (2S)-2-amino-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)-3-(4-phenylphenyl)propan-1-one (CID 23645383) is (2S)-2-amino-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)-3-(4-phenylphenyl)propan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)-3-(4-phenylphenyl)propan-1-one?
The canonical SMILES for (2S)-2-amino-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)-3-(4-phenylphenyl)propan-1-one is CC1(C)OCCN1C(=O)[C@@H](N)Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of (2S)-2-amino-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)-3-(4-phenylphenyl)propan-1-one?
The InChIKey is IZGKGABELDQRQG-SFHVURJKSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-20(2)22(12-13-24-20)19(23)18(21)14-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11,18H,12-14,21H2,1-2H3/t18-/m0/s1.
What are the key properties of (2S)-2-amino-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)-3-(4-phenylphenyl)propan-1-one?
(2S)-2-amino-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)-3-(4-phenylphenyl)propan-1-one has a molecular weight of 324.42 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)-3-(4-phenylphenyl)propan-1-one is sourced from PubChem (CID 23645383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).