3-methoxy-4-(methoxycarbonylamino)benzoic acid

C10H11NO5 — CID 58375560

IUPAC3-methoxy-4-(methoxycarbonylamino)benzoic acid
SMILESCOC(=O)Nc1ccc(C(=O)O)cc1OC
InChIInChI=1S/C10H11NO5/c1-15-8-5-6(9(12)13)3-4-7(8)11-10(14)16-2/h3-5H,1-2H3,(H,11,14)(H,12,13)
InChIKeyZTTGYORZZCXMIA-UHFFFAOYSA-N
MW225.20 g/mol
LogP1.57
Rot. Bonds3

About 3-methoxy-4-(methoxycarbonylamino)benzoic acid

3-methoxy-4-(methoxycarbonylamino)benzoic acid (PubChem CID 58375560) has the molecular formula C10H11NO5 and a molecular weight of 225.20 g/mol. Its IUPAC name is 3-methoxy-4-(methoxycarbonylamino)benzoic acid.

Molecular Properties

Compound Name3-methoxy-4-(methoxycarbonylamino)benzoic acid
PubChem CID58375560
Molecular FormulaC10H11NO5
Molecular Weight225.20 g/mol
Exact Mass225.06
IUPAC Name3-methoxy-4-(methoxycarbonylamino)benzoic acid
SMILESCOC(=O)Nc1ccc(C(=O)O)cc1OC
InChIInChI=1S/C10H11NO5/c1-15-8-5-6(9(12)13)3-4-7(8)11-10(14)16-2/h3-5H,1-2H3,(H,11,14)(H,12,13)
InChIKeyZTTGYORZZCXMIA-UHFFFAOYSA-N
XLogP1.57
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(carbamothioylamino)-3-methoxybenzoic acid
CID 91875438
4-[(2-chloroacetyl)amino]-3-methoxybenzoic acid
CID 19099511
4-[[(2R)-2-aminopropanoyl]amino]-3-methoxybenzoic acid
CID 167188995
4-(2-hydroxyhydrazinyl)-3-methoxybenzoic acid
CID 176970330
4-[(4-carboxy-2-methoxyanilino)sulfanylamino]-3-methoxybenzoic acid
CID 167476178
3-methoxy-4-(1,2,2-tricyanoethenylamino)benzoic acid
CID 168606277
CID 87920580
CID 87920580
(4-carboxy-2-methoxyanilino)-dihydroxy-methylazanium
CID 176970364
4-[(6,6-dimethyl-5-oxoheptanoyl)amino]-3-methoxybenzoic acid
CID 166390559
4-[(4-fluoro-2-methylbenzoyl)amino]-3-methoxybenzoic acid
CID 137374056
3,4-dimethoxybenzoic acid;methanol
CID 144580050
methyl N-(2,4,5-trimethoxyphenyl)carbamate
CID 115190416

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(methoxycarbonylamino)benzoic acid?
The IUPAC name of 3-methoxy-4-(methoxycarbonylamino)benzoic acid (CID 58375560) is 3-methoxy-4-(methoxycarbonylamino)benzoic acid.
What is the SMILES notation for 3-methoxy-4-(methoxycarbonylamino)benzoic acid?
The canonical SMILES for 3-methoxy-4-(methoxycarbonylamino)benzoic acid is COC(=O)Nc1ccc(C(=O)O)cc1OC.
What is the InChIKey of 3-methoxy-4-(methoxycarbonylamino)benzoic acid?
The InChIKey is ZTTGYORZZCXMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO5/c1-15-8-5-6(9(12)13)3-4-7(8)11-10(14)16-2/h3-5H,1-2H3,(H,11,14)(H,12,13).
What are the key properties of 3-methoxy-4-(methoxycarbonylamino)benzoic acid?
3-methoxy-4-(methoxycarbonylamino)benzoic acid has a molecular weight of 225.20 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(methoxycarbonylamino)benzoic acid is sourced from PubChem (CID 58375560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).