(4R)-3-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C15H19ClN2O3 — CID 134492450

IUPAC(4R)-3-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@@H]1COC(=O)N1C(=O)[C@H](N)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2O3/c1-9(2)13-8-21-15(20)18(13)14(19)12(17)7-10-3-5-11(16)6-4-10/h3-6,9,12-13H,7-8,17H2,1-2H3/t12-,13+/m1/s1
InChIKeyNKQAFSYIUJPHLD-OLZOCXBDSA-N
MW310.78 g/mol
LogP2.21
Rot. Bonds4

About (4R)-3-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4R)-3-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 134492450) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is (4R)-3-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID134492450
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name(4R)-3-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@@H]1COC(=O)N1C(=O)[C@H](N)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2O3/c1-9(2)13-8-21-15(20)18(13)14(19)12(17)7-10-3-5-11(16)6-4-10/h3-6,9,12-13H,7-8,17H2,1-2H3/t12-,13+/m1/s1
InChIKeyNKQAFSYIUJPHLD-OLZOCXBDSA-N
XLogP2.21
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4R)-3-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(4S)-3-[3-(4-chlorophenyl)propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 122642087
(3R)-2,3-dibenzyl-1,4-bis[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]butane-1,4-dione
CID 134462003
(4S)-3-(2-methyl-3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 134835001
(4S)-3-(2,2-dichloroacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 44889097
2-methyl-1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pentane-1,3-dione
CID 10444361
tert-butyl 4-methyl-2-[(2R)-1-oxo-1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-phenylpropan-2-yl]pentanoate
CID 102516317
(4S)-3-[2-(2-chlorophenyl)acetyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 15349555
(4S)-4-propan-2-yl-3-(3,3,3-trideuterio-2-methylpropanoyl)-1,3-oxazolidin-2-one
CID 25239998
(4S)-3-[(2R,3S)-2-chloro-3-hydroxy-4-methylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 13347887
tert-butyl (3R)-3-benzyl-4-oxo-4-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]butanoate
CID 14213076
1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]ethylidenevanadium
CID 145149624
(4S)-4-propan-2-yl-3-[(2S)-2-(trideuteriomethyl)butanoyl]-1,3-oxazolidin-2-one
CID 131667934

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 134492450) is (4R)-3-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@@H]1COC(=O)N1C(=O)[C@H](N)Cc1ccc(Cl)cc1.
What is the InChIKey of (4R)-3-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is NKQAFSYIUJPHLD-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-9(2)13-8-21-15(20)18(13)14(19)12(17)7-10-3-5-11(16)6-4-10/h3-6,9,12-13H,7-8,17H2,1-2H3/t12-,13+/m1/s1.
What are the key properties of (4R)-3-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4R)-3-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 310.78 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 134492450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).