4-[3-(oxolan-2-yl)propyl]morpholine-2-carboxylic acid

C12H21NO4 — CID 65162197

IUPAC4-[3-(oxolan-2-yl)propyl]morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(CCCC2CCCO2)CCO1
InChIInChI=1S/C12H21NO4/c14-12(15)11-9-13(6-8-17-11)5-1-3-10-4-2-7-16-10/h10-11H,1-9H2,(H,14,15)
InChIKeyOPDLQGHKOQGETR-UHFFFAOYSA-N
MW243.30 g/mol
LogP0.73
Rot. Bonds5

About 4-[3-(oxolan-2-yl)propyl]morpholine-2-carboxylic acid

4-[3-(oxolan-2-yl)propyl]morpholine-2-carboxylic acid (PubChem CID 65162197) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 4-[3-(oxolan-2-yl)propyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[3-(oxolan-2-yl)propyl]morpholine-2-carboxylic acid
PubChem CID65162197
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name4-[3-(oxolan-2-yl)propyl]morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(CCCC2CCCO2)CCO1
InChIInChI=1S/C12H21NO4/c14-12(15)11-9-13(6-8-17-11)5-1-3-10-4-2-7-16-10/h10-11H,1-9H2,(H,14,15)
InChIKeyOPDLQGHKOQGETR-UHFFFAOYSA-N
XLogP0.73
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[3-(oxolan-2-yl)propyl]morpholine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(oxolan-2-yl)ethyl]morpholine-2-carboxylic acid
CID 65162198
4-[2-(oxolan-2-yl)ethyl]morpholine-2-carbothioamide
CID 79681740
4-(3-ethoxypropyl)morpholine-2-carboxylic acid
CID 65180987
2-[1-[3-(oxolan-2-yl)propyl]piperidin-4-yl]acetic acid
CID 79608135
(3R,4S)-1-[3-(oxolan-2-yl)propyl]pyrrolidine-3,4-diol
CID 79410973
(3S)-1-[3-(oxolan-2-yl)propyl]pyrrolidin-3-amine
CID 115302471
(2R)-4-[2-[(2S)-oxolan-2-yl]acetyl]morpholine-2-carboxylic acid
CID 124512416
[1-[3-(oxolan-2-yl)propyl]piperidin-3-yl]methanol
CID 65166006
4-hept-6-enylmorpholine-2-carboxylic acid
CID 107007820
(2S)-2-amino-5-(oxolan-2-yl)pentanoic acid
CID 106702722
4-[2-(2-bromocyclopropyl)ethyl]morpholine-2-carboxylic acid
CID 172686558
2-[4-[3-(oxolan-2-yl)propyl]-1,4-diazepan-1-yl]ethanol
CID 65166537

Frequently Asked Questions

What is the IUPAC name of 4-[3-(oxolan-2-yl)propyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[3-(oxolan-2-yl)propyl]morpholine-2-carboxylic acid (CID 65162197) is 4-[3-(oxolan-2-yl)propyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[3-(oxolan-2-yl)propyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[3-(oxolan-2-yl)propyl]morpholine-2-carboxylic acid is O=C(O)C1CN(CCCC2CCCO2)CCO1.
What is the InChIKey of 4-[3-(oxolan-2-yl)propyl]morpholine-2-carboxylic acid?
The InChIKey is OPDLQGHKOQGETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c14-12(15)11-9-13(6-8-17-11)5-1-3-10-4-2-7-16-10/h10-11H,1-9H2,(H,14,15).
What are the key properties of 4-[3-(oxolan-2-yl)propyl]morpholine-2-carboxylic acid?
4-[3-(oxolan-2-yl)propyl]morpholine-2-carboxylic acid has a molecular weight of 243.30 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(oxolan-2-yl)propyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 65162197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).