4-[(4-amino-3-methyloxolane-3-carbonyl)amino]-2-methoxybenzoic acid

C14H18N2O5 — CID 107208126

IUPAC4-[(4-amino-3-methyloxolane-3-carbonyl)amino]-2-methoxybenzoic acid
SMILESCOc1cc(NC(=O)C2(C)COCC2N)ccc1C(=O)O
InChIInChI=1S/C14H18N2O5/c1-14(7-21-6-11(14)15)13(19)16-8-3-4-9(12(17)18)10(5-8)20-2/h3-5,11H,6-7,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyWEHMGQCJRNROQC-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.70
Rot. Bonds4

About 4-[(4-amino-3-methyloxolane-3-carbonyl)amino]-2-methoxybenzoic acid

4-[(4-amino-3-methyloxolane-3-carbonyl)amino]-2-methoxybenzoic acid (PubChem CID 107208126) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 4-[(4-amino-3-methyloxolane-3-carbonyl)amino]-2-methoxybenzoic acid.

Molecular Properties

Compound Name4-[(4-amino-3-methyloxolane-3-carbonyl)amino]-2-methoxybenzoic acid
PubChem CID107208126
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name4-[(4-amino-3-methyloxolane-3-carbonyl)amino]-2-methoxybenzoic acid
SMILESCOc1cc(NC(=O)C2(C)COCC2N)ccc1C(=O)O
InChIInChI=1S/C14H18N2O5/c1-14(7-21-6-11(14)15)13(19)16-8-3-4-9(12(17)18)10(5-8)20-2/h3-5,11H,6-7,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyWEHMGQCJRNROQC-UHFFFAOYSA-N
XLogP0.70
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(4-bromo-3-methoxyphenyl)-3-methyloxolane-3-carboxamide
CID 82868045
4-amino-N-(3-carbamoyl-4-fluorophenyl)-3-methyloxolane-3-carboxamide
CID 66248653
4-amino-N-(3-bromo-4-methylphenyl)-3-methyloxolane-3-carboxamide
CID 66264602
4-amino-N-(5-carbamoyl-2-methoxyphenyl)-3-methyloxolane-3-carboxamide
CID 66248860
4-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-3-methyloxolane-3-carboxamide
CID 66250237
4-[(1-aminocyclopentanecarbonyl)amino]-2-methoxybenzoic acid
CID 107208023
4-amino-N-[3-(2-methoxyethoxy)phenyl]-3-methyloxolane-3-carboxamide
CID 66250431
4-amino-N-(4-chloro-3-nitrophenyl)-3-methyloxolane-3-carboxamide
CID 66250811
4-amino-N-(4-ethoxyphenyl)-3-methyloxolane-3-carboxamide
CID 66248425
(E)-3-[4-[(4-amino-3-methyloxolane-3-carbonyl)amino]phenyl]prop-2-enoic acid
CID 115342275
4-[(2,2-dimethylcyclopropanecarbonyl)amino]-2-methoxybenzoic acid
CID 107208664
4-amino-N-(4-chloro-3-cyanophenyl)-3-methyloxolane-3-carboxamide
CID 66248652

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-3-methyloxolane-3-carbonyl)amino]-2-methoxybenzoic acid?
The IUPAC name of 4-[(4-amino-3-methyloxolane-3-carbonyl)amino]-2-methoxybenzoic acid (CID 107208126) is 4-[(4-amino-3-methyloxolane-3-carbonyl)amino]-2-methoxybenzoic acid.
What is the SMILES notation for 4-[(4-amino-3-methyloxolane-3-carbonyl)amino]-2-methoxybenzoic acid?
The canonical SMILES for 4-[(4-amino-3-methyloxolane-3-carbonyl)amino]-2-methoxybenzoic acid is COc1cc(NC(=O)C2(C)COCC2N)ccc1C(=O)O.
What is the InChIKey of 4-[(4-amino-3-methyloxolane-3-carbonyl)amino]-2-methoxybenzoic acid?
The InChIKey is WEHMGQCJRNROQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-14(7-21-6-11(14)15)13(19)16-8-3-4-9(12(17)18)10(5-8)20-2/h3-5,11H,6-7,15H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 4-[(4-amino-3-methyloxolane-3-carbonyl)amino]-2-methoxybenzoic acid?
4-[(4-amino-3-methyloxolane-3-carbonyl)amino]-2-methoxybenzoic acid has a molecular weight of 294.31 g/mol, XLogP of 0.70, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-3-methyloxolane-3-carbonyl)amino]-2-methoxybenzoic acid is sourced from PubChem (CID 107208126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).