3-(N-[4-(methylamino)oxolane-3-carbonyl]anilino)propanoic acid

C15H20N2O4 — CID 66267606

IUPAC3-(N-[4-(methylamino)oxolane-3-carbonyl]anilino)propanoic acid
SMILESCNC1COCC1C(=O)N(CCC(=O)O)c1ccccc1
InChIInChI=1S/C15H20N2O4/c1-16-13-10-21-9-12(13)15(20)17(8-7-14(18)19)11-5-3-2-4-6-11/h2-6,12-13,16H,7-10H2,1H3,(H,18,19)
InChIKeyUCMDDMNFLRLDCP-UHFFFAOYSA-N
MW292.33 g/mol
LogP0.73
Rot. Bonds6

About 3-(N-[4-(methylamino)oxolane-3-carbonyl]anilino)propanoic acid

3-(N-[4-(methylamino)oxolane-3-carbonyl]anilino)propanoic acid (PubChem CID 66267606) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 3-(N-[4-(methylamino)oxolane-3-carbonyl]anilino)propanoic acid.

Molecular Properties

Compound Name3-(N-[4-(methylamino)oxolane-3-carbonyl]anilino)propanoic acid
PubChem CID66267606
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name3-(N-[4-(methylamino)oxolane-3-carbonyl]anilino)propanoic acid
SMILESCNC1COCC1C(=O)N(CCC(=O)O)c1ccccc1
InChIInChI=1S/C15H20N2O4/c1-16-13-10-21-9-12(13)15(20)17(8-7-14(18)19)11-5-3-2-4-6-11/h2-6,12-13,16H,7-10H2,1H3,(H,18,19)
InChIKeyUCMDDMNFLRLDCP-UHFFFAOYSA-N
XLogP0.73
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(N-[4-(methylamino)oxolane-3-carbonyl]anilino)propanoic acid?
The IUPAC name of 3-(N-[4-(methylamino)oxolane-3-carbonyl]anilino)propanoic acid (CID 66267606) is 3-(N-[4-(methylamino)oxolane-3-carbonyl]anilino)propanoic acid.
What is the SMILES notation for 3-(N-[4-(methylamino)oxolane-3-carbonyl]anilino)propanoic acid?
The canonical SMILES for 3-(N-[4-(methylamino)oxolane-3-carbonyl]anilino)propanoic acid is CNC1COCC1C(=O)N(CCC(=O)O)c1ccccc1.
What is the InChIKey of 3-(N-[4-(methylamino)oxolane-3-carbonyl]anilino)propanoic acid?
The InChIKey is UCMDDMNFLRLDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-16-13-10-21-9-12(13)15(20)17(8-7-14(18)19)11-5-3-2-4-6-11/h2-6,12-13,16H,7-10H2,1H3,(H,18,19).
What are the key properties of 3-(N-[4-(methylamino)oxolane-3-carbonyl]anilino)propanoic acid?
3-(N-[4-(methylamino)oxolane-3-carbonyl]anilino)propanoic acid has a molecular weight of 292.33 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-[4-(methylamino)oxolane-3-carbonyl]anilino)propanoic acid is sourced from PubChem (CID 66267606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).