2,2,4-trimethyl-1,3-oxazolidine-4-carboxylic acid

C7H13NO3 — CID 142688895

IUPAC2,2,4-trimethyl-1,3-oxazolidine-4-carboxylic acid
SMILESCC1(C)NC(C)(C(=O)O)CO1
InChIInChI=1S/C7H13NO3/c1-6(2)8-7(3,4-11-6)5(9)10/h8H,4H2,1-3H3,(H,9,10)
InChIKeyLHYMPTDWSGJONY-UHFFFAOYSA-N
MW159.18 g/mol
LogP0.19
Rot. Bonds1

About 2,2,4-trimethyl-1,3-oxazolidine-4-carboxylic acid

2,2,4-trimethyl-1,3-oxazolidine-4-carboxylic acid (PubChem CID 142688895) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is 2,2,4-trimethyl-1,3-oxazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2,2,4-trimethyl-1,3-oxazolidine-4-carboxylic acid
PubChem CID142688895
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name2,2,4-trimethyl-1,3-oxazolidine-4-carboxylic acid
SMILESCC1(C)NC(C)(C(=O)O)CO1
InChIInChI=1S/C7H13NO3/c1-6(2)8-7(3,4-11-6)5(9)10/h8H,4H2,1-3H3,(H,9,10)
InChIKeyLHYMPTDWSGJONY-UHFFFAOYSA-N
XLogP0.19
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 307939
2,2-Dimethyl-1,3-oxazolidine-4-carboxylic acid
CID 18351415
4-Methyl-1,3-oxazolidine-4-carboxylic acid
CID 12052303
2-(2,4,4-Trimethyl-1,3-oxazolidin-2-yl)acetic acid
CID 22895090
(4S)-2,2-Dimethyl-1,3-oxazolidine-4-carboxylic acid
CID 24804857
(4S)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidin-5-one
CID 146383164
(4R)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidin-5-one
CID 146383170
(2R,4S)-2-tert-butyl-4-methyl-1,3-oxazolidine-4-carboxylic acid
CID 154652135
(2R)-2-methyl-1,3-oxazolidine-4-carboxylic acid
CID 163525489
(4S)-2-methyl-1,3-oxazolidine-4-carboxylic acid
CID 24804855
4-Methyl-oxazolidine-4-carboxylic acid ethyl ester
CID 24975850
(4R)-4-methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 55301035

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-1,3-oxazolidine-4-carboxylic acid?
The IUPAC name of 2,2,4-trimethyl-1,3-oxazolidine-4-carboxylic acid (CID 142688895) is 2,2,4-trimethyl-1,3-oxazolidine-4-carboxylic acid.
What is the SMILES notation for 2,2,4-trimethyl-1,3-oxazolidine-4-carboxylic acid?
The canonical SMILES for 2,2,4-trimethyl-1,3-oxazolidine-4-carboxylic acid is CC1(C)NC(C)(C(=O)O)CO1.
What is the InChIKey of 2,2,4-trimethyl-1,3-oxazolidine-4-carboxylic acid?
The InChIKey is LHYMPTDWSGJONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-6(2)8-7(3,4-11-6)5(9)10/h8H,4H2,1-3H3,(H,9,10).
What are the key properties of 2,2,4-trimethyl-1,3-oxazolidine-4-carboxylic acid?
2,2,4-trimethyl-1,3-oxazolidine-4-carboxylic acid has a molecular weight of 159.18 g/mol, XLogP of 0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-1,3-oxazolidine-4-carboxylic acid is sourced from PubChem (CID 142688895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).