3-(3-hydroxypropyl)-2-oxo-1,3-oxazolidine-4-carboxylic acid

C7H11NO5 — CID 115102311

IUPAC3-(3-hydroxypropyl)-2-oxo-1,3-oxazolidine-4-carboxylic acid
SMILESO=C(O)C1COC(=O)N1CCCO
InChIInChI=1S/C7H11NO5/c9-3-1-2-8-5(6(10)11)4-13-7(8)12/h5,9H,1-4H2,(H,10,11)
InChIKeyVXZNVTBQJOOMMJ-UHFFFAOYSA-N
MW189.17 g/mol
LogP-0.73
Rot. Bonds4

About 3-(3-hydroxypropyl)-2-oxo-1,3-oxazolidine-4-carboxylic acid

3-(3-hydroxypropyl)-2-oxo-1,3-oxazolidine-4-carboxylic acid (PubChem CID 115102311) has the molecular formula C7H11NO5 and a molecular weight of 189.17 g/mol. Its IUPAC name is 3-(3-hydroxypropyl)-2-oxo-1,3-oxazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(3-hydroxypropyl)-2-oxo-1,3-oxazolidine-4-carboxylic acid
PubChem CID115102311
Molecular FormulaC7H11NO5
Molecular Weight189.17 g/mol
Exact Mass189.06
IUPAC Name3-(3-hydroxypropyl)-2-oxo-1,3-oxazolidine-4-carboxylic acid
SMILESO=C(O)C1COC(=O)N1CCCO
InChIInChI=1S/C7H11NO5/c9-3-1-2-8-5(6(10)11)4-13-7(8)12/h5,9H,1-4H2,(H,10,11)
InChIKeyVXZNVTBQJOOMMJ-UHFFFAOYSA-N
XLogP-0.73
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-hydroxypropyl)-4-(2-sulfanylpropan-2-yl)-1,3-oxazolidin-2-one
CID 18768682
2-oxo-3-(2-piperidin-1-ylethyl)-1,3-oxazolidine-4-carboxylic acid
CID 115102549
3-[(4-bromophenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 115060250
2-oxo-3-(thian-2-ylmethyl)-1,3-oxazolidine-4-carboxylic acid
CID 115102486
(4S)-3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 96663913
3-[(3,4-dimethylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 82480494
(4S)-3-acetyl-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 130192161
2-oxo-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazolidine-4-carboxylic acid
CID 115102469
(4R)-3-[(6-methylcyclohexa-1,3-dien-1-yl)methyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 143497170
5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pentanoic acid
CID 126662409
4-methyl-3-pentyl-1,3-oxazolidin-2-one
CID 11378760
2-oxo-3-(thiolan-3-yl)-1,3-oxazolidine-4-carboxylic acid
CID 115006185

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypropyl)-2-oxo-1,3-oxazolidine-4-carboxylic acid?
The IUPAC name of 3-(3-hydroxypropyl)-2-oxo-1,3-oxazolidine-4-carboxylic acid (CID 115102311) is 3-(3-hydroxypropyl)-2-oxo-1,3-oxazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(3-hydroxypropyl)-2-oxo-1,3-oxazolidine-4-carboxylic acid?
The canonical SMILES for 3-(3-hydroxypropyl)-2-oxo-1,3-oxazolidine-4-carboxylic acid is O=C(O)C1COC(=O)N1CCCO.
What is the InChIKey of 3-(3-hydroxypropyl)-2-oxo-1,3-oxazolidine-4-carboxylic acid?
The InChIKey is VXZNVTBQJOOMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO5/c9-3-1-2-8-5(6(10)11)4-13-7(8)12/h5,9H,1-4H2,(H,10,11).
What are the key properties of 3-(3-hydroxypropyl)-2-oxo-1,3-oxazolidine-4-carboxylic acid?
3-(3-hydroxypropyl)-2-oxo-1,3-oxazolidine-4-carboxylic acid has a molecular weight of 189.17 g/mol, XLogP of -0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypropyl)-2-oxo-1,3-oxazolidine-4-carboxylic acid is sourced from PubChem (CID 115102311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).