4-[5-oxo-4-(oxolan-2-ylmethyl)morpholin-2-yl]butanoic acid

C13H21NO5 — CID 112519843

IUPAC4-[5-oxo-4-(oxolan-2-ylmethyl)morpholin-2-yl]butanoic acid
SMILESO=C(O)CCCC1CN(CC2CCCO2)C(=O)CO1
InChIInChI=1S/C13H21NO5/c15-12-9-19-11(3-1-5-13(16)17)8-14(12)7-10-4-2-6-18-10/h10-11H,1-9H2,(H,16,17)
InChIKeyRHQJPCWQKDJWTD-UHFFFAOYSA-N
MW271.31 g/mol
LogP0.65
Rot. Bonds6

About 4-[5-oxo-4-(oxolan-2-ylmethyl)morpholin-2-yl]butanoic acid

4-[5-oxo-4-(oxolan-2-ylmethyl)morpholin-2-yl]butanoic acid (PubChem CID 112519843) has the molecular formula C13H21NO5 and a molecular weight of 271.31 g/mol. Its IUPAC name is 4-[5-oxo-4-(oxolan-2-ylmethyl)morpholin-2-yl]butanoic acid.

Molecular Properties

Compound Name4-[5-oxo-4-(oxolan-2-ylmethyl)morpholin-2-yl]butanoic acid
PubChem CID112519843
Molecular FormulaC13H21NO5
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name4-[5-oxo-4-(oxolan-2-ylmethyl)morpholin-2-yl]butanoic acid
SMILESO=C(O)CCCC1CN(CC2CCCO2)C(=O)CO1
InChIInChI=1S/C13H21NO5/c15-12-9-19-11(3-1-5-13(16)17)8-14(12)7-10-4-2-6-18-10/h10-11H,1-9H2,(H,16,17)
InChIKeyRHQJPCWQKDJWTD-UHFFFAOYSA-N
XLogP0.65
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(oxan-2-ylmethyl)-5-oxomorpholine-2-carboxylic acid
CID 115103049
5-[(2R)-oxolan-2-yl]pentanoic acid
CID 67391734
7-(oxolan-2-yl)heptanoic acid
CID 174977398
4-chloro-1-(oxolan-2-ylmethyl)pyrrolidin-2-one
CID 168687103
(4R)-4-amino-1-[[(2R)-oxolan-2-yl]methyl]pyrrolidin-2-one
CID 28815490
6-(aminomethyl)-4-(oxan-3-ylmethyl)morpholin-3-one
CID 115103056
2-[2-oxo-3-(oxolan-2-ylmethyl)-1,3-oxazinan-6-yl]acetic acid
CID 117011044
4-[3-(oxolan-2-yl)propyl-propan-2-ylamino]butanoic acid
CID 65162413
N-(4-methylphenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113182716
N-(4-chlorophenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113182741
3-[(2R)-oxan-2-yl]propanoic acid;hydrochloride
CID 162327782
3-[4-(oxolan-2-ylmethyl)morpholin-3-yl]propanoic acid
CID 117009387

Frequently Asked Questions

What is the IUPAC name of 4-[5-oxo-4-(oxolan-2-ylmethyl)morpholin-2-yl]butanoic acid?
The IUPAC name of 4-[5-oxo-4-(oxolan-2-ylmethyl)morpholin-2-yl]butanoic acid (CID 112519843) is 4-[5-oxo-4-(oxolan-2-ylmethyl)morpholin-2-yl]butanoic acid.
What is the SMILES notation for 4-[5-oxo-4-(oxolan-2-ylmethyl)morpholin-2-yl]butanoic acid?
The canonical SMILES for 4-[5-oxo-4-(oxolan-2-ylmethyl)morpholin-2-yl]butanoic acid is O=C(O)CCCC1CN(CC2CCCO2)C(=O)CO1.
What is the InChIKey of 4-[5-oxo-4-(oxolan-2-ylmethyl)morpholin-2-yl]butanoic acid?
The InChIKey is RHQJPCWQKDJWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO5/c15-12-9-19-11(3-1-5-13(16)17)8-14(12)7-10-4-2-6-18-10/h10-11H,1-9H2,(H,16,17).
What are the key properties of 4-[5-oxo-4-(oxolan-2-ylmethyl)morpholin-2-yl]butanoic acid?
4-[5-oxo-4-(oxolan-2-ylmethyl)morpholin-2-yl]butanoic acid has a molecular weight of 271.31 g/mol, XLogP of 0.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-oxo-4-(oxolan-2-ylmethyl)morpholin-2-yl]butanoic acid is sourced from PubChem (CID 112519843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).