3-(methoxycarbonylamino)-2-methylbenzoic acid

C10H11NO4 — CID 62947415

IUPAC3-(methoxycarbonylamino)-2-methylbenzoic acid
SMILESCOC(=O)Nc1cccc(C(=O)O)c1C
InChIInChI=1S/C10H11NO4/c1-6-7(9(12)13)4-3-5-8(6)11-10(14)15-2/h3-5H,1-2H3,(H,11,14)(H,12,13)
InChIKeyQCJWYNMRRFGBGR-UHFFFAOYSA-N
MW209.20 g/mol
LogP1.87
Rot. Bonds2

About 3-(methoxycarbonylamino)-2-methylbenzoic acid

3-(methoxycarbonylamino)-2-methylbenzoic acid (PubChem CID 62947415) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is 3-(methoxycarbonylamino)-2-methylbenzoic acid.

Molecular Properties

Compound Name3-(methoxycarbonylamino)-2-methylbenzoic acid
PubChem CID62947415
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name3-(methoxycarbonylamino)-2-methylbenzoic acid
SMILESCOC(=O)Nc1cccc(C(=O)O)c1C
InChIInChI=1S/C10H11NO4/c1-6-7(9(12)13)4-3-5-8(6)11-10(14)15-2/h3-5H,1-2H3,(H,11,14)(H,12,13)
InChIKeyQCJWYNMRRFGBGR-UHFFFAOYSA-N
XLogP1.87
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-(2-methyl-3-prop-1-en-2-ylphenyl)carbamate
CID 23402332
methyl N-[2-methyl-3-[(2-methylphenyl)carbamoyl]phenyl]carbamate
CID 58399637
3-[(2-carboxyacetyl)amino]-2-methylbenzoic acid
CID 62231492
3-[(2-bromoacetyl)amino]-2-methylbenzoic acid
CID 63679679
3-(2-carboxypropanoylamino)-2-methylbenzoic acid
CID 114898046
3-[[(E)-3-carboxyprop-2-enoyl]amino]-2-methylbenzoic acid
CID 54868437
3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylbenzoic acid
CID 22569039
3-[[2-(carboxymethoxy)acetyl]amino]-2-methylbenzoic acid
CID 61327665
methyl 3-(ethoxycarbonylamino)-2-methylbenzoate
CID 60731584
3-[(2-fluorophenyl)carbamoylamino]-2-methylbenzoic acid
CID 62947575
3-(2-ethylbutanoylamino)-2-methylbenzoic acid
CID 6458658
3-(3,3-dimethylbutanoylamino)-2-methylbenzoic acid
CID 55025823

Frequently Asked Questions

What is the IUPAC name of 3-(methoxycarbonylamino)-2-methylbenzoic acid?
The IUPAC name of 3-(methoxycarbonylamino)-2-methylbenzoic acid (CID 62947415) is 3-(methoxycarbonylamino)-2-methylbenzoic acid.
What is the SMILES notation for 3-(methoxycarbonylamino)-2-methylbenzoic acid?
The canonical SMILES for 3-(methoxycarbonylamino)-2-methylbenzoic acid is COC(=O)Nc1cccc(C(=O)O)c1C.
What is the InChIKey of 3-(methoxycarbonylamino)-2-methylbenzoic acid?
The InChIKey is QCJWYNMRRFGBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-6-7(9(12)13)4-3-5-8(6)11-10(14)15-2/h3-5H,1-2H3,(H,11,14)(H,12,13).
What are the key properties of 3-(methoxycarbonylamino)-2-methylbenzoic acid?
3-(methoxycarbonylamino)-2-methylbenzoic acid has a molecular weight of 209.20 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxycarbonylamino)-2-methylbenzoic acid is sourced from PubChem (CID 62947415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).