1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperidine-2-carboxylic acid

C10H16N2O4 — CID 43441008

IUPAC1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperidine-2-carboxylic acid
SMILESO=C1NCC(CN2CCCCC2C(=O)O)O1
InChIInChI=1S/C10H16N2O4/c13-9(14)8-3-1-2-4-12(8)6-7-5-11-10(15)16-7/h7-8H,1-6H2,(H,11,15)(H,13,14)
InChIKeyQEJJTDGWIGSVHA-UHFFFAOYSA-N
MW228.25 g/mol
LogP0.03
Rot. Bonds3

About 1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperidine-2-carboxylic acid

1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperidine-2-carboxylic acid (PubChem CID 43441008) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperidine-2-carboxylic acid
PubChem CID43441008
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperidine-2-carboxylic acid
SMILESO=C1NCC(CN2CCCCC2C(=O)O)O1
InChIInChI=1S/C10H16N2O4/c13-9(14)8-3-1-2-4-12(8)6-7-5-11-10(15)16-7/h7-8H,1-6H2,(H,11,15)(H,13,14)
InChIKeyQEJJTDGWIGSVHA-UHFFFAOYSA-N
XLogP0.03
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperidine-2-carbaldehyde
CID 62654793
1-(oxan-2-ylmethyl)piperidine-2-carboxylic acid
CID 43441213
(2R)-1-(cyclopropylmethyl)pyrrolidine-2-carboxylic acid
CID 51440975
ethyl (3S)-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperidine-3-carboxylate
CID 113330833
1-(6-hydroxyhexyl)piperidine-2-carboxylic acid
CID 104540976
1-(4-hydroxybutyl)azepane-2-carboxylic acid
CID 64563148
(2R)-1-butylpiperidine-2-carboxylic acid
CID 40787093
1-[[(5S)-2-oxo-1,3-oxazolidin-5-yl]methyl]triazole-4-carboxylic acid
CID 94339257
(2S)-1-[5-[(2S)-2-carboxypyrrolidin-1-yl]pentyl]pyrrolidine-2-carboxylic acid
CID 138991676
(2R)-1-prop-2-ynylpiperidine-2-carboxylic acid
CID 28819925
1-[(2-methoxy-4,5-dimethylphenyl)methyl]piperidine-2-carboxylic acid
CID 3567372
1-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidine-2-carboxylic acid
CID 19439069

Frequently Asked Questions

What is the IUPAC name of 1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperidine-2-carboxylic acid (CID 43441008) is 1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperidine-2-carboxylic acid is O=C1NCC(CN2CCCCC2C(=O)O)O1.
What is the InChIKey of 1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperidine-2-carboxylic acid?
The InChIKey is QEJJTDGWIGSVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c13-9(14)8-3-1-2-4-12(8)6-7-5-11-10(15)16-7/h7-8H,1-6H2,(H,11,15)(H,13,14).
What are the key properties of 1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperidine-2-carboxylic acid?
1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperidine-2-carboxylic acid has a molecular weight of 228.25 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 43441008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).