3-[4-(oxolan-2-ylmethyl)morpholin-3-yl]propanoic acid

C12H21NO4 — CID 117009387

IUPAC3-[4-(oxolan-2-ylmethyl)morpholin-3-yl]propanoic acid
SMILESO=C(O)CCC1COCCN1CC1CCCO1
InChIInChI=1S/C12H21NO4/c14-12(15)4-3-10-9-16-7-5-13(10)8-11-2-1-6-17-11/h10-11H,1-9H2,(H,14,15)
InChIKeyPWSXYMAXMKEHAB-UHFFFAOYSA-N
MW243.30 g/mol
LogP0.73
Rot. Bonds5

About 3-[4-(oxolan-2-ylmethyl)morpholin-3-yl]propanoic acid

3-[4-(oxolan-2-ylmethyl)morpholin-3-yl]propanoic acid (PubChem CID 117009387) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 3-[4-(oxolan-2-ylmethyl)morpholin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(oxolan-2-ylmethyl)morpholin-3-yl]propanoic acid
PubChem CID117009387
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name3-[4-(oxolan-2-ylmethyl)morpholin-3-yl]propanoic acid
SMILESO=C(O)CCC1COCCN1CC1CCCO1
InChIInChI=1S/C12H21NO4/c14-12(15)4-3-10-9-16-7-5-13(10)8-11-2-1-6-17-11/h10-11H,1-9H2,(H,14,15)
InChIKeyPWSXYMAXMKEHAB-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

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Related Compounds

N-[[4-(oxolan-2-ylmethyl)morpholin-3-yl]methyl]propan-2-amine
CID 83099933
3-(4-butylmorpholin-3-yl)propanoic acid
CID 117009382
3-[4-(2-methoxyethyl)morpholin-3-yl]propanoic acid
CID 117009385
3-[1-[3-(oxolan-2-yl)propanoyl]piperidin-2-yl]propanoic acid
CID 62217111
3-[(2S)-1-[2-[(2S)-oxolan-2-yl]acetyl]piperidin-2-yl]propanoic acid
CID 124512417
3-[4-[(4-methylphenyl)methyl]morpholin-3-yl]propanoic acid
CID 117009392
3-[(2R)-oxan-2-yl]propanoic acid;hydrochloride
CID 162327782
1-[1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]propan-2-one
CID 79545987
(3S)-4-[3-[(2R)-oxolan-2-yl]propanoyl]morpholine-3-carboxylic acid
CID 124513489
[(2S)-1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 112734020
3-(4-tert-butylmorpholin-3-yl)propanoic acid
CID 117009398
4-oxo-4-[4-(oxolan-2-ylmethyl)piperazin-1-yl]butanoic acid
CID 60662642

Frequently Asked Questions

What is the IUPAC name of 3-[4-(oxolan-2-ylmethyl)morpholin-3-yl]propanoic acid?
The IUPAC name of 3-[4-(oxolan-2-ylmethyl)morpholin-3-yl]propanoic acid (CID 117009387) is 3-[4-(oxolan-2-ylmethyl)morpholin-3-yl]propanoic acid.
What is the SMILES notation for 3-[4-(oxolan-2-ylmethyl)morpholin-3-yl]propanoic acid?
The canonical SMILES for 3-[4-(oxolan-2-ylmethyl)morpholin-3-yl]propanoic acid is O=C(O)CCC1COCCN1CC1CCCO1.
What is the InChIKey of 3-[4-(oxolan-2-ylmethyl)morpholin-3-yl]propanoic acid?
The InChIKey is PWSXYMAXMKEHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c14-12(15)4-3-10-9-16-7-5-13(10)8-11-2-1-6-17-11/h10-11H,1-9H2,(H,14,15).
What are the key properties of 3-[4-(oxolan-2-ylmethyl)morpholin-3-yl]propanoic acid?
3-[4-(oxolan-2-ylmethyl)morpholin-3-yl]propanoic 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 3-[4-(oxolan-2-ylmethyl)morpholin-3-yl]propanoic acid is sourced from PubChem (CID 117009387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).