3-[1-[4-(methylamino)oxolane-3-carbonyl]piperidin-4-yl]propanoic acid

C14H24N2O4 — CID 66267039

IUPAC3-[1-[4-(methylamino)oxolane-3-carbonyl]piperidin-4-yl]propanoic acid
SMILESCNC1COCC1C(=O)N1CCC(CCC(=O)O)CC1
InChIInChI=1S/C14H24N2O4/c1-15-12-9-20-8-11(12)14(19)16-6-4-10(5-7-16)2-3-13(17)18/h10-12,15H,2-9H2,1H3,(H,17,18)
InChIKeyKLWJOANFEWYOCI-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.32
Rot. Bonds5

About 3-[1-[4-(methylamino)oxolane-3-carbonyl]piperidin-4-yl]propanoic acid

3-[1-[4-(methylamino)oxolane-3-carbonyl]piperidin-4-yl]propanoic acid (PubChem CID 66267039) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-[1-[4-(methylamino)oxolane-3-carbonyl]piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[4-(methylamino)oxolane-3-carbonyl]piperidin-4-yl]propanoic acid
PubChem CID66267039
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name3-[1-[4-(methylamino)oxolane-3-carbonyl]piperidin-4-yl]propanoic acid
SMILESCNC1COCC1C(=O)N1CCC(CCC(=O)O)CC1
InChIInChI=1S/C14H24N2O4/c1-15-12-9-20-8-11(12)14(19)16-6-4-10(5-7-16)2-3-13(17)18/h10-12,15H,2-9H2,1H3,(H,17,18)
InChIKeyKLWJOANFEWYOCI-UHFFFAOYSA-N
XLogP0.32
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[1-[4-(methylamino)oxolane-3-carbonyl]piperidin-4-yl]propanoic acid with MolForge

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Related Compounds

(4-hydroxypiperidin-1-yl)-[4-(methylamino)oxolan-3-yl]methanone
CID 66267148
N-ethyl-1-[4-(methylamino)oxolane-3-carbonyl]piperidine-4-carboxamide
CID 66267202
[4-(methylamino)oxolan-3-yl]-(4-prop-2-enylpiperazin-1-yl)methanone
CID 66266429
2-methyl-1-[4-[4-(methylamino)oxolane-3-carbonyl]piperazin-1-yl]propan-1-one
CID 66267388
1-[4-[4-(methylamino)oxolane-3-carbonyl]-1,4-diazepan-1-yl]propan-1-one
CID 66265829
3-[1-(3-methyloxane-4-carbonyl)pyrrolidin-3-yl]propanoic acid
CID 114240984
(3-hydroxypiperidin-1-yl)-[4-(methylamino)oxolan-3-yl]methanone
CID 66267351
[4-(methylamino)oxolan-3-yl]-(3-piperidin-1-ylpyrrolidin-1-yl)methanone
CID 66265073
(3-methoxy-4-methylpiperidin-1-yl)-[4-(methylamino)oxolan-3-yl]methanone
CID 102957376
(4-aminooxolan-3-yl)-(4-propylpiperidin-1-yl)methanone
CID 66236078
[1-[4-(methylamino)oxolane-3-carbonyl]piperidin-3-yl]methylurea
CID 66265033
[4-(ethylamino)oxolan-3-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103495367

Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-(methylamino)oxolane-3-carbonyl]piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-[4-(methylamino)oxolane-3-carbonyl]piperidin-4-yl]propanoic acid (CID 66267039) is 3-[1-[4-(methylamino)oxolane-3-carbonyl]piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-[4-(methylamino)oxolane-3-carbonyl]piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-[4-(methylamino)oxolane-3-carbonyl]piperidin-4-yl]propanoic acid is CNC1COCC1C(=O)N1CCC(CCC(=O)O)CC1.
What is the InChIKey of 3-[1-[4-(methylamino)oxolane-3-carbonyl]piperidin-4-yl]propanoic acid?
The InChIKey is KLWJOANFEWYOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-15-12-9-20-8-11(12)14(19)16-6-4-10(5-7-16)2-3-13(17)18/h10-12,15H,2-9H2,1H3,(H,17,18).
What are the key properties of 3-[1-[4-(methylamino)oxolane-3-carbonyl]piperidin-4-yl]propanoic acid?
3-[1-[4-(methylamino)oxolane-3-carbonyl]piperidin-4-yl]propanoic acid has a molecular weight of 284.36 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-(methylamino)oxolane-3-carbonyl]piperidin-4-yl]propanoic acid is sourced from PubChem (CID 66267039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).