2-propan-2-yl-1,3-oxazolidine-4-carboxylic acid

C7H13NO3 — CID 45096105

IUPAC2-propan-2-yl-1,3-oxazolidine-4-carboxylic acid
SMILESCC(C)C1NC(C(=O)O)CO1
InChIInChI=1S/C7H13NO3/c1-4(2)6-8-5(3-11-6)7(9)10/h4-6,8H,3H2,1-2H3,(H,9,10)
InChIKeyGQIZBNDENQMRLQ-UHFFFAOYSA-N
MW159.18 g/mol
LogP0.04
Rot. Bonds2

About 2-propan-2-yl-1,3-oxazolidine-4-carboxylic acid

2-propan-2-yl-1,3-oxazolidine-4-carboxylic acid (PubChem CID 45096105) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is 2-propan-2-yl-1,3-oxazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-propan-2-yl-1,3-oxazolidine-4-carboxylic acid
PubChem CID45096105
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name2-propan-2-yl-1,3-oxazolidine-4-carboxylic acid
SMILESCC(C)C1NC(C(=O)O)CO1
InChIInChI=1S/C7H13NO3/c1-4(2)6-8-5(3-11-6)7(9)10/h4-6,8H,3H2,1-2H3,(H,9,10)
InChIKeyGQIZBNDENQMRLQ-UHFFFAOYSA-N
XLogP0.04
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-2,4-di(propan-2-yl)-1,3-oxazolidine
CID 22951232
5,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine-3-carboxylic acid
CID 115825764
(2S,4R)-azetidine-2,4-dicarboxylic acid
CID 2733517
(2S)-4-propan-2-ylpyrrolidine-2-carboxylic acid
CID 54517485
(2S,5S)-5-(1-carboxyethyl)pyrrolidine-2-carboxylic acid
CID 101341979
5-(3-methylbutan-2-yl)pyrrolidine-2-carboxylic acid
CID 130705030
(3S,6S)-2-propan-2-yl-5-azaspiro[2.4]heptane-6-carboxylic acid
CID 59493460
2-[(2R)-oxiran-2-yl]propanoic acid
CID 54126922
(2R,4R)-4-methylazetidine-2-carboxylic acid
CID 138039816
2-(2-hydroxy-1,3-oxazolidin-4-yl)propanoic acid
CID 123410128
1-(oxiran-2-yl)ethylcarbamic acid
CID 87698799
5-propan-2-yloxane-2,3,4-tricarboxylic acid
CID 138650986

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1,3-oxazolidine-4-carboxylic acid?
The IUPAC name of 2-propan-2-yl-1,3-oxazolidine-4-carboxylic acid (CID 45096105) is 2-propan-2-yl-1,3-oxazolidine-4-carboxylic acid.
What is the SMILES notation for 2-propan-2-yl-1,3-oxazolidine-4-carboxylic acid?
The canonical SMILES for 2-propan-2-yl-1,3-oxazolidine-4-carboxylic acid is CC(C)C1NC(C(=O)O)CO1.
What is the InChIKey of 2-propan-2-yl-1,3-oxazolidine-4-carboxylic acid?
The InChIKey is GQIZBNDENQMRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-4(2)6-8-5(3-11-6)7(9)10/h4-6,8H,3H2,1-2H3,(H,9,10).
What are the key properties of 2-propan-2-yl-1,3-oxazolidine-4-carboxylic acid?
2-propan-2-yl-1,3-oxazolidine-4-carboxylic acid has a molecular weight of 159.18 g/mol, XLogP of 0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1,3-oxazolidine-4-carboxylic acid is sourced from PubChem (CID 45096105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).