(4S)-4-carbamoyl-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylic acid

C8H14N2O4 — CID 118308757

IUPAC(4S)-4-carbamoyl-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylic acid
SMILESCC1(C)OC[C@@](C)(C(N)=O)N1C(=O)O
InChIInChI=1S/C8H14N2O4/c1-7(2)10(6(12)13)8(3,4-14-7)5(9)11/h4H2,1-3H3,(H2,9,11)(H,12,13)/t8-/m0/s1
InChIKeyYBWKQWJUFNXURY-QMMMGPOBSA-N
MW202.21 g/mol
LogP-0.02
Rot. Bonds1

About (4S)-4-carbamoyl-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylic acid

(4S)-4-carbamoyl-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylic acid (PubChem CID 118308757) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is (4S)-4-carbamoyl-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylic acid.

Molecular Properties

Compound Name(4S)-4-carbamoyl-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylic acid
PubChem CID118308757
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Name(4S)-4-carbamoyl-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylic acid
SMILESCC1(C)OC[C@@](C)(C(N)=O)N1C(=O)O
InChIInChI=1S/C8H14N2O4/c1-7(2)10(6(12)13)8(3,4-14-7)5(9)11/h4H2,1-3H3,(H2,9,11)(H,12,13)/t8-/m0/s1
InChIKeyYBWKQWJUFNXURY-QMMMGPOBSA-N
XLogP-0.02
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-(acetamidocarbamoyl)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylic acid
CID 118308751
(4R)-4-tert-butyl-4-(2-fluoropropan-2-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 67157477
tert-butyl 4-[(E)-N'-hydroxycarbamimidoyl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate
CID 118308717
ethyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 19755076
propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 177436139
[(1R,2S)-2-[(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxymethyl]cyclohexyl]methyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 11762211
4-benzyl-2,2-dimethyl-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylic acid
CID 18009185
[(2R)-1-methoxy-3-methyl-1-oxobutan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 100997051
benzyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 19783758
tert-butyl 4-(2-acetamidoacetyl)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate
CID 157152097
1,2-dimethylpiperazine-2-carboxamide
CID 174849300
5-carbamoyl-5-methyl-4H-1,2-oxazole-3-carboxylic acid
CID 117274241

Frequently Asked Questions

What is the IUPAC name of (4S)-4-carbamoyl-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylic acid?
The IUPAC name of (4S)-4-carbamoyl-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylic acid (CID 118308757) is (4S)-4-carbamoyl-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylic acid.
What is the SMILES notation for (4S)-4-carbamoyl-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylic acid?
The canonical SMILES for (4S)-4-carbamoyl-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylic acid is CC1(C)OC[C@@](C)(C(N)=O)N1C(=O)O.
What is the InChIKey of (4S)-4-carbamoyl-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylic acid?
The InChIKey is YBWKQWJUFNXURY-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H14N2O4/c1-7(2)10(6(12)13)8(3,4-14-7)5(9)11/h4H2,1-3H3,(H2,9,11)(H,12,13)/t8-/m0/s1.
What are the key properties of (4S)-4-carbamoyl-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylic acid?
(4S)-4-carbamoyl-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylic acid has a molecular weight of 202.21 g/mol, XLogP of -0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-carbamoyl-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylic acid is sourced from PubChem (CID 118308757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).