4-methoxy-3-[[4-(methylamino)oxolane-3-carbonyl]amino]benzoic acid

C14H18N2O5 — CID 66266071

IUPAC4-methoxy-3-[[4-(methylamino)oxolane-3-carbonyl]amino]benzoic acid
SMILESCNC1COCC1C(=O)Nc1cc(C(=O)O)ccc1OC
InChIInChI=1S/C14H18N2O5/c1-15-11-7-21-6-9(11)13(17)16-10-5-8(14(18)19)3-4-12(10)20-2/h3-5,9,11,15H,6-7H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyFIJZDHOKPMDCGH-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.57
Rot. Bonds5

About 4-methoxy-3-[[4-(methylamino)oxolane-3-carbonyl]amino]benzoic acid

4-methoxy-3-[[4-(methylamino)oxolane-3-carbonyl]amino]benzoic acid (PubChem CID 66266071) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 4-methoxy-3-[[4-(methylamino)oxolane-3-carbonyl]amino]benzoic acid.

Molecular Properties

Compound Name4-methoxy-3-[[4-(methylamino)oxolane-3-carbonyl]amino]benzoic acid
PubChem CID66266071
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name4-methoxy-3-[[4-(methylamino)oxolane-3-carbonyl]amino]benzoic acid
SMILESCNC1COCC1C(=O)Nc1cc(C(=O)O)ccc1OC
InChIInChI=1S/C14H18N2O5/c1-15-11-7-21-6-9(11)13(17)16-10-5-8(14(18)19)3-4-12(10)20-2/h3-5,9,11,15H,6-7H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyFIJZDHOKPMDCGH-UHFFFAOYSA-N
XLogP0.57
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxy-5-methylphenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66265957
N-(3-ethoxy-4-methoxyphenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66266787
3-[[(1S,3R)-3-carboxy-2,2-dimethylcyclopropanecarbonyl]amino]-4-methoxybenzoic acid
CID 95390850
4-bromo-2-[[4-(methylamino)oxolane-3-carbonyl]amino]benzoic acid
CID 66265243
2,4-difluoro-5-[[4-(methylamino)oxolane-3-carbonyl]amino]benzoic acid
CID 66265190
4-methoxy-3-(prop-2-enoylamino)benzoic acid
CID 63742238
3-bromo-4-[[4-(ethylamino)oxolane-3-carbonyl]amino]benzoic acid
CID 66260276
N-[(2,5-dimethoxyphenyl)methyl]-4-(methylamino)oxolane-3-carboxamide
CID 66265055
N-[2-hydroxy-5-(trifluoromethyl)phenyl]-4-(methylamino)oxolane-3-carboxamide
CID 81198677
4-methoxy-3-(oxan-4-ylamino)benzoic acid
CID 55229938
4-methoxy-3-(2-methylpropanoylamino)benzoic acid
CID 63742748
3-(azepane-2-carbonylamino)-4-methoxybenzoic acid
CID 64568363

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[[4-(methylamino)oxolane-3-carbonyl]amino]benzoic acid?
The IUPAC name of 4-methoxy-3-[[4-(methylamino)oxolane-3-carbonyl]amino]benzoic acid (CID 66266071) is 4-methoxy-3-[[4-(methylamino)oxolane-3-carbonyl]amino]benzoic acid.
What is the SMILES notation for 4-methoxy-3-[[4-(methylamino)oxolane-3-carbonyl]amino]benzoic acid?
The canonical SMILES for 4-methoxy-3-[[4-(methylamino)oxolane-3-carbonyl]amino]benzoic acid is CNC1COCC1C(=O)Nc1cc(C(=O)O)ccc1OC.
What is the InChIKey of 4-methoxy-3-[[4-(methylamino)oxolane-3-carbonyl]amino]benzoic acid?
The InChIKey is FIJZDHOKPMDCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-15-11-7-21-6-9(11)13(17)16-10-5-8(14(18)19)3-4-12(10)20-2/h3-5,9,11,15H,6-7H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 4-methoxy-3-[[4-(methylamino)oxolane-3-carbonyl]amino]benzoic acid?
4-methoxy-3-[[4-(methylamino)oxolane-3-carbonyl]amino]benzoic acid has a molecular weight of 294.31 g/mol, XLogP of 0.57, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[[4-(methylamino)oxolane-3-carbonyl]amino]benzoic acid is sourced from PubChem (CID 66266071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).