(4S,5S)-5-carbamoyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-4-carboxylic acid

C10H16N2O6 — CID 164608553

IUPAC(4S,5S)-5-carbamoyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CO[C@H](C(N)=O)[C@H]1C(=O)O
InChIInChI=1S/C10H16N2O6/c1-10(2,3)18-9(16)12-4-17-6(7(11)13)5(12)8(14)15/h5-6H,4H2,1-3H3,(H2,11,13)(H,14,15)/t5-,6-/m0/s1
InChIKeySSOMJOJDEKFMJS-WDSKDSINSA-N
MW260.25 g/mol
LogP-0.48
Rot. Bonds2

About (4S,5S)-5-carbamoyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-4-carboxylic acid

(4S,5S)-5-carbamoyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-4-carboxylic acid (PubChem CID 164608553) has the molecular formula C10H16N2O6 and a molecular weight of 260.25 g/mol. Its IUPAC name is (4S,5S)-5-carbamoyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4S,5S)-5-carbamoyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-4-carboxylic acid
PubChem CID164608553
Molecular FormulaC10H16N2O6
Molecular Weight260.25 g/mol
Exact Mass260.10
IUPAC Name(4S,5S)-5-carbamoyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CO[C@H](C(N)=O)[C@H]1C(=O)O
InChIInChI=1S/C10H16N2O6/c1-10(2,3)18-9(16)12-4-17-6(7(11)13)5(12)8(14)15/h5-6H,4H2,1-3H3,(H2,11,13)(H,14,15)/t5-,6-/m0/s1
InChIKeySSOMJOJDEKFMJS-WDSKDSINSA-N
XLogP-0.48
TPSA119.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-carbamoyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-4-carboxylic acid?
The IUPAC name of (4S,5S)-5-carbamoyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-4-carboxylic acid (CID 164608553) is (4S,5S)-5-carbamoyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-4-carboxylic acid.
What is the SMILES notation for (4S,5S)-5-carbamoyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-4-carboxylic acid?
The canonical SMILES for (4S,5S)-5-carbamoyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-4-carboxylic acid is CC(C)(C)OC(=O)N1CO[C@H](C(N)=O)[C@H]1C(=O)O.
What is the InChIKey of (4S,5S)-5-carbamoyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-4-carboxylic acid?
The InChIKey is SSOMJOJDEKFMJS-WDSKDSINSA-N. The full InChI is InChI=1S/C10H16N2O6/c1-10(2,3)18-9(16)12-4-17-6(7(11)13)5(12)8(14)15/h5-6H,4H2,1-3H3,(H2,11,13)(H,14,15)/t5-,6-/m0/s1.
What are the key properties of (4S,5S)-5-carbamoyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-4-carboxylic acid?
(4S,5S)-5-carbamoyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-4-carboxylic acid has a molecular weight of 260.25 g/mol, XLogP of -0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-carbamoyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-4-carboxylic acid is sourced from PubChem (CID 164608553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).