(4S)-3-[(2S)-2-amino-3-quinolin-6-ylpropanoyl]-4-benzyl-1,3-oxazolidin-2-one

C22H21N3O3 — CID 167387085

IUPAC(4S)-3-[(2S)-2-amino-3-quinolin-6-ylpropanoyl]-4-benzyl-1,3-oxazolidin-2-one
SMILESN[C@@H](Cc1ccc2ncccc2c1)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C22H21N3O3/c23-19(13-16-8-9-20-17(11-16)7-4-10-24-20)21(26)25-18(14-28-22(25)27)12-15-5-2-1-3-6-15/h1-11,18-19H,12-14,23H2/t18-,19-/m0/s1
InChIKeyAQXDYWXTCDNIRG-OALUTQOASA-N
MW375.43 g/mol
LogP2.69
Rot. Bonds5

About (4S)-3-[(2S)-2-amino-3-quinolin-6-ylpropanoyl]-4-benzyl-1,3-oxazolidin-2-one

(4S)-3-[(2S)-2-amino-3-quinolin-6-ylpropanoyl]-4-benzyl-1,3-oxazolidin-2-one (PubChem CID 167387085) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is (4S)-3-[(2S)-2-amino-3-quinolin-6-ylpropanoyl]-4-benzyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(2S)-2-amino-3-quinolin-6-ylpropanoyl]-4-benzyl-1,3-oxazolidin-2-one
PubChem CID167387085
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name(4S)-3-[(2S)-2-amino-3-quinolin-6-ylpropanoyl]-4-benzyl-1,3-oxazolidin-2-one
SMILESN[C@@H](Cc1ccc2ncccc2c1)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C22H21N3O3/c23-19(13-16-8-9-20-17(11-16)7-4-10-24-20)21(26)25-18(14-28-22(25)27)12-15-5-2-1-3-6-15/h1-11,18-19H,12-14,23H2/t18-,19-/m0/s1
InChIKeyAQXDYWXTCDNIRG-OALUTQOASA-N
XLogP2.69
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4S)-3-[(2S)-2-amino-3-quinolin-6-ylpropanoyl]-4-benzyl-1,3-oxazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(2R)-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-methylbutane-1,3-dione
CID 102120797
(4S)-3-acetyl-4-benzyl-1,3-oxazolidin-2-one
CID 735929
3-benzyl-4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-4-oxobutanoic acid
CID 22397352
(4R)-4-benzyl-3-[(2S)-2-benzyl-3-methylbutanoyl]-1,3-oxazolidin-2-one
CID 10545886
(4S)-4-benzyl-3-[(2S)-3-(4-hydroxyphenyl)-2-methylpropanoyl]-1,3-oxazolidin-2-one
CID 58566621
(4R)-4-benzyl-3-[(2S)-3-fluoro-2-methylpropanoyl]-1,3-oxazolidin-2-one
CID 129274259
4-benzyl-3-(3-bromo-2-methylpropanoyl)-1,3-oxazolidin-2-one
CID 76787138
(4S)-4-benzyl-3-[(2S)-2-bromo-3-methylbutanoyl]-1,3-oxazolidin-2-one
CID 14604024
(4R)-4-benzyl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one
CID 118941522
1-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-2-(2-methylpropyl)butane-1,3-dione
CID 22894172
4-benzyl-3-[2-(hydroxymethyl)-3-methylbutanoyl]-1,3-oxazolidin-2-one;titanium(4+);tetrachloride
CID 173180549
(4S)-4-benzyl-3-[(2S)-2-bromopent-4-enoyl]-1,3-oxazolidin-2-one
CID 14604020

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(2S)-2-amino-3-quinolin-6-ylpropanoyl]-4-benzyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(2S)-2-amino-3-quinolin-6-ylpropanoyl]-4-benzyl-1,3-oxazolidin-2-one (CID 167387085) is (4S)-3-[(2S)-2-amino-3-quinolin-6-ylpropanoyl]-4-benzyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(2S)-2-amino-3-quinolin-6-ylpropanoyl]-4-benzyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(2S)-2-amino-3-quinolin-6-ylpropanoyl]-4-benzyl-1,3-oxazolidin-2-one is N[C@@H](Cc1ccc2ncccc2c1)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1.
What is the InChIKey of (4S)-3-[(2S)-2-amino-3-quinolin-6-ylpropanoyl]-4-benzyl-1,3-oxazolidin-2-one?
The InChIKey is AQXDYWXTCDNIRG-OALUTQOASA-N. The full InChI is InChI=1S/C22H21N3O3/c23-19(13-16-8-9-20-17(11-16)7-4-10-24-20)21(26)25-18(14-28-22(25)27)12-15-5-2-1-3-6-15/h1-11,18-19H,12-14,23H2/t18-,19-/m0/s1.
What are the key properties of (4S)-3-[(2S)-2-amino-3-quinolin-6-ylpropanoyl]-4-benzyl-1,3-oxazolidin-2-one?
(4S)-3-[(2S)-2-amino-3-quinolin-6-ylpropanoyl]-4-benzyl-1,3-oxazolidin-2-one has a molecular weight of 375.43 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(2S)-2-amino-3-quinolin-6-ylpropanoyl]-4-benzyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 167387085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).