(4S)-N-(2-amino-2-oxoethyl)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carboxamide

C13H21N3O4 — CID 50851751

IUPAC(4S)-N-(2-amino-2-oxoethyl)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESNC(=O)CNC(=O)[C@@H]1COC(=O)N1CC1CCCCC1
InChIInChI=1S/C13H21N3O4/c14-11(17)6-15-12(18)10-8-20-13(19)16(10)7-9-4-2-1-3-5-9/h9-10H,1-8H2,(H2,14,17)(H,15,18)/t10-/m0/s1
InChIKeyBNBUYQWBJHDPRD-JTQLQIEISA-N
MW283.33 g/mol
LogP-0.01
Rot. Bonds5

About (4S)-N-(2-amino-2-oxoethyl)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carboxamide

(4S)-N-(2-amino-2-oxoethyl)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 50851751) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is (4S)-N-(2-amino-2-oxoethyl)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-(2-amino-2-oxoethyl)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carboxamide
PubChem CID50851751
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name(4S)-N-(2-amino-2-oxoethyl)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESNC(=O)CNC(=O)[C@@H]1COC(=O)N1CC1CCCCC1
InChIInChI=1S/C13H21N3O4/c14-11(17)6-15-12(18)10-8-20-13(19)16(10)7-9-4-2-1-3-5-9/h9-10H,1-8H2,(H2,14,17)(H,15,18)/t10-/m0/s1
InChIKeyBNBUYQWBJHDPRD-JTQLQIEISA-N
XLogP-0.01
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4S)-N-(2-amino-2-oxoethyl)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-N-(2-amino-2-oxoethyl)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carboxamide?
The IUPAC name of (4S)-N-(2-amino-2-oxoethyl)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carboxamide (CID 50851751) is (4S)-N-(2-amino-2-oxoethyl)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-(2-amino-2-oxoethyl)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-(2-amino-2-oxoethyl)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carboxamide is NC(=O)CNC(=O)[C@@H]1COC(=O)N1CC1CCCCC1.
What is the InChIKey of (4S)-N-(2-amino-2-oxoethyl)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carboxamide?
The InChIKey is BNBUYQWBJHDPRD-JTQLQIEISA-N. The full InChI is InChI=1S/C13H21N3O4/c14-11(17)6-15-12(18)10-8-20-13(19)16(10)7-9-4-2-1-3-5-9/h9-10H,1-8H2,(H2,14,17)(H,15,18)/t10-/m0/s1.
What are the key properties of (4S)-N-(2-amino-2-oxoethyl)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carboxamide?
(4S)-N-(2-amino-2-oxoethyl)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 283.33 g/mol, XLogP of -0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(2-amino-2-oxoethyl)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 50851751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).