methyl 3-(methoxycarbonylamino)-4-methylbenzoate

C11H13NO4 — CID 17172948

IUPACmethyl 3-(methoxycarbonylamino)-4-methylbenzoate
SMILESCOC(=O)Nc1cc(C(=O)OC)ccc1C
InChIInChI=1S/C11H13NO4/c1-7-4-5-8(10(13)15-2)6-9(7)12-11(14)16-3/h4-6H,1-3H3,(H,12,14)
InChIKeyTYNHXDHRPGUMCX-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.96
Rot. Bonds2

About methyl 3-(methoxycarbonylamino)-4-methylbenzoate

methyl 3-(methoxycarbonylamino)-4-methylbenzoate (PubChem CID 17172948) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is methyl 3-(methoxycarbonylamino)-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-(methoxycarbonylamino)-4-methylbenzoate
PubChem CID17172948
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Namemethyl 3-(methoxycarbonylamino)-4-methylbenzoate
SMILESCOC(=O)Nc1cc(C(=O)OC)ccc1C
InChIInChI=1S/C11H13NO4/c1-7-4-5-8(10(13)15-2)6-9(7)12-11(14)16-3/h4-6H,1-3H3,(H,12,14)
InChIKeyTYNHXDHRPGUMCX-UHFFFAOYSA-N
XLogP1.96
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(ethoxycarbonylamino)-4-methylbenzoate
CID 3309818
methyl 3-[[(2S)-2-chloropropanoyl]amino]-4-methylbenzoate
CID 93262404
methyl 4-methyl-3-[(2,4,6-trimethylbenzoyl)amino]benzoate
CID 9439805
methyl 3-[(4-carbamoylbenzoyl)amino]-4-methylbenzoate
CID 30846823
methyl 4-methyl-3-(propan-2-ylcarbamoylamino)benzoate
CID 47173546
methyl 3-[(3,5-difluorobenzoyl)amino]-4-methylbenzoate
CID 8919868
methyl 3-[(3,5-dimethoxybenzoyl)amino]-4-methylbenzoate
CID 967197
methyl 4-methyl-3-(pyridine-4-carbonylamino)benzoate
CID 737265
methyl 3-[(3-methoxy-4-methylbenzoyl)amino]-4-methylbenzoate
CID 16604939
methyl 3-[(2-hydroxy-2-methylpropyl)amino]-4-methylbenzoate
CID 22287213
methyl 4-methyl-3-(pentanoylamino)benzoate
CID 8920189
methyl 3-(4-hydroxybutanoylamino)-4-methylbenzoate
CID 79204686

Frequently Asked Questions

What is the IUPAC name of methyl 3-(methoxycarbonylamino)-4-methylbenzoate?
The IUPAC name of methyl 3-(methoxycarbonylamino)-4-methylbenzoate (CID 17172948) is methyl 3-(methoxycarbonylamino)-4-methylbenzoate.
What is the SMILES notation for methyl 3-(methoxycarbonylamino)-4-methylbenzoate?
The canonical SMILES for methyl 3-(methoxycarbonylamino)-4-methylbenzoate is COC(=O)Nc1cc(C(=O)OC)ccc1C.
What is the InChIKey of methyl 3-(methoxycarbonylamino)-4-methylbenzoate?
The InChIKey is TYNHXDHRPGUMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-7-4-5-8(10(13)15-2)6-9(7)12-11(14)16-3/h4-6H,1-3H3,(H,12,14).
What are the key properties of methyl 3-(methoxycarbonylamino)-4-methylbenzoate?
methyl 3-(methoxycarbonylamino)-4-methylbenzoate has a molecular weight of 223.23 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(methoxycarbonylamino)-4-methylbenzoate is sourced from PubChem (CID 17172948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).