2-[[(4S)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carbonyl]amino]acetic acid

C13H20N2O5 — CID 50851744

IUPAC2-[[(4S)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)[C@@H]1COC(=O)N1CC1CCCCC1
InChIInChI=1S/C13H20N2O5/c16-11(17)6-14-12(18)10-8-20-13(19)15(10)7-9-4-2-1-3-5-9/h9-10H,1-8H2,(H,14,18)(H,16,17)/t10-/m0/s1
InChIKeyQKPJDDSVNRGWPN-JTQLQIEISA-N
MW284.31 g/mol
LogP0.59
Rot. Bonds5

About 2-[[(4S)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carbonyl]amino]acetic acid

2-[[(4S)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carbonyl]amino]acetic acid (PubChem CID 50851744) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-[[(4S)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(4S)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carbonyl]amino]acetic acid
PubChem CID50851744
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Name2-[[(4S)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)[C@@H]1COC(=O)N1CC1CCCCC1
InChIInChI=1S/C13H20N2O5/c16-11(17)6-14-12(18)10-8-20-13(19)15(10)7-9-4-2-1-3-5-9/h9-10H,1-8H2,(H,14,18)(H,16,17)/t10-/m0/s1
InChIKeyQKPJDDSVNRGWPN-JTQLQIEISA-N
XLogP0.59
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(4S)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[(4S)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carbonyl]amino]acetic acid (CID 50851744) is 2-[[(4S)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[(4S)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[(4S)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carbonyl]amino]acetic acid is O=C(O)CNC(=O)[C@@H]1COC(=O)N1CC1CCCCC1.
What is the InChIKey of 2-[[(4S)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carbonyl]amino]acetic acid?
The InChIKey is QKPJDDSVNRGWPN-JTQLQIEISA-N. The full InChI is InChI=1S/C13H20N2O5/c16-11(17)6-14-12(18)10-8-20-13(19)15(10)7-9-4-2-1-3-5-9/h9-10H,1-8H2,(H,14,18)(H,16,17)/t10-/m0/s1.
What are the key properties of 2-[[(4S)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carbonyl]amino]acetic acid?
2-[[(4S)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carbonyl]amino]acetic acid has a molecular weight of 284.31 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4S)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carbonyl]amino]acetic acid is sourced from PubChem (CID 50851744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).