3-[4-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxo-1,3-oxazolidin-4-yl]propanoic acid

C12H19NO6 — CID 20662506

IUPAC3-[4-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxo-1,3-oxazolidin-4-yl]propanoic acid
SMILESCC(C)(C)OC(=O)N1COC(=O)C1(C)CCC(=O)O
InChIInChI=1S/C12H19NO6/c1-11(2,3)19-10(17)13-7-18-9(16)12(13,4)6-5-8(14)15/h5-7H2,1-4H3,(H,14,15)
InChIKeySQLLRUREXNABAI-UHFFFAOYSA-N
MW273.28 g/mol
LogP1.36
Rot. Bonds3

About 3-[4-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxo-1,3-oxazolidin-4-yl]propanoic acid

3-[4-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxo-1,3-oxazolidin-4-yl]propanoic acid (PubChem CID 20662506) has the molecular formula C12H19NO6 and a molecular weight of 273.28 g/mol. Its IUPAC name is 3-[4-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxo-1,3-oxazolidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxo-1,3-oxazolidin-4-yl]propanoic acid
PubChem CID20662506
Molecular FormulaC12H19NO6
Molecular Weight273.28 g/mol
Exact Mass273.12
IUPAC Name3-[4-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxo-1,3-oxazolidin-4-yl]propanoic acid
SMILESCC(C)(C)OC(=O)N1COC(=O)C1(C)CCC(=O)O
InChIInChI=1S/C12H19NO6/c1-11(2,3)19-10(17)13-7-18-9(16)12(13,4)6-5-8(14)15/h5-7H2,1-4H3,(H,14,15)
InChIKeySQLLRUREXNABAI-UHFFFAOYSA-N
XLogP1.36
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[4-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxo-1,3-oxazolidin-4-yl]propanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

(3S,5S)-1-(tert-butoxycarbonyl)-5-(methoxycarbonyl)pyrrolidine-3-carboxylic acid
CID 69673205
(4R)-4-(2-carboxyethyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-4-carboxylic acid
CID 11623850
tert-butyl (4S)-4-(3-methoxy-3-oxopropyl)-5-oxo-1,3-oxazolidine-3-carboxylate
CID 101064258
3-[3-(Tert-butoxycarbonyl)-5-oxo-1,3-oxazolidin-4-yl]propanoic acid
CID 11139806
3-(3,4-Dimethyl-5-oxo-1,3-oxazolidin-4-yl)propanoic acid
CID 18721994
3-[3-[(2-Methylpropan-2-yl)oxycarbonyl]-5-oxo-1,3-oxazolidin-4-yl]propanoic acid
CID 20628098
3-(4-Ethyl-3-methyl-5-oxo-1,3-oxazolidin-4-yl)propanoic acid
CID 21132241
1-Tert-butoxycarbonyl-5-methoxycarbonyl-pyrrolidine-3-carboxylic acid
CID 23073915
Boc-N-Me-Glu(OMe)-OH
CID 54551966
(3R,5R)-1-[(tert-butoxy)carbonyl]-5-(methoxycarbonyl)pyrrolidine-3-carboxylic acid
CID 69695761
(R)-2-((tert-Butoxycarbonyl)(methyl)amino)-5-methoxy-5-oxopentanoic acid
CID 76102866
(2R,4R)-2,4-dimethyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanedioic acid
CID 90096826

Frequently Asked Questions

What is the IUPAC name of 3-[4-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxo-1,3-oxazolidin-4-yl]propanoic acid?
The IUPAC name of 3-[4-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxo-1,3-oxazolidin-4-yl]propanoic acid (CID 20662506) is 3-[4-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxo-1,3-oxazolidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[4-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxo-1,3-oxazolidin-4-yl]propanoic acid?
The canonical SMILES for 3-[4-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxo-1,3-oxazolidin-4-yl]propanoic acid is CC(C)(C)OC(=O)N1COC(=O)C1(C)CCC(=O)O.
What is the InChIKey of 3-[4-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxo-1,3-oxazolidin-4-yl]propanoic acid?
The InChIKey is SQLLRUREXNABAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO6/c1-11(2,3)19-10(17)13-7-18-9(16)12(13,4)6-5-8(14)15/h5-7H2,1-4H3,(H,14,15).
What are the key properties of 3-[4-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxo-1,3-oxazolidin-4-yl]propanoic acid?
3-[4-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxo-1,3-oxazolidin-4-yl]propanoic acid has a molecular weight of 273.28 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxo-1,3-oxazolidin-4-yl]propanoic acid is sourced from PubChem (CID 20662506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).