[2-(methoxycarbonylamino)-3-methylphenyl]carbamic acid

C10H12N2O4 — CID 175129828

IUPAC[2-(methoxycarbonylamino)-3-methylphenyl]carbamic acid
SMILESCOC(=O)Nc1c(C)cccc1NC(=O)O
InChIInChI=1S/C10H12N2O4/c1-6-4-3-5-7(11-9(13)14)8(6)12-10(15)16-2/h3-5,11H,1-2H3,(H,12,15)(H,13,14)
InChIKeyWROWQAMMJPYQBR-UHFFFAOYSA-N
MW224.22 g/mol
LogP2.26
Rot. Bonds2

About [2-(methoxycarbonylamino)-3-methylphenyl]carbamic acid

[2-(methoxycarbonylamino)-3-methylphenyl]carbamic acid (PubChem CID 175129828) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is [2-(methoxycarbonylamino)-3-methylphenyl]carbamic acid.

Molecular Properties

Compound Name[2-(methoxycarbonylamino)-3-methylphenyl]carbamic acid
PubChem CID175129828
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name[2-(methoxycarbonylamino)-3-methylphenyl]carbamic acid
SMILESCOC(=O)Nc1c(C)cccc1NC(=O)O
InChIInChI=1S/C10H12N2O4/c1-6-4-3-5-7(11-9(13)14)8(6)12-10(15)16-2/h3-5,11H,1-2H3,(H,12,15)(H,13,14)
InChIKeyWROWQAMMJPYQBR-UHFFFAOYSA-N
XLogP2.26
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(dimethylcarbamoylamino)-3-methylphenyl]-1,1-dimethylurea
CID 67750256
methyl N-[5-(methoxycarbonylamino)naphthalen-1-yl]carbamate
CID 4594667
3-(methoxycarbonylamino)-2-methylbenzoic acid
CID 62947415
methyl N-[2-methyl-3-[(2-methylphenyl)carbamoyl]phenyl]carbamate
CID 58399637
(2-methoxy-3-pyrimidin-2-ylphenyl)carbamic acid
CID 170166465
tert-butyl N-(2-methyl-6-propan-2-ylphenyl)carbamate
CID 65142644
1-(2-bromophenyl)-3-[2-[(2-bromophenyl)carbamoylamino]-3-methylphenyl]urea
CID 23819618
methyl N-[2-[(E)-2-(2-methylphenyl)ethenyl]phenyl]carbamate
CID 20667567
methyl N-(3-amino-2,6-dimethylphenyl)carbamate
CID 19857501
N,N'-bis(2,6-dimethylphenyl)oxamide
CID 3764178
methyl N-(2-hydroxyphenyl)carbamate
CID 819280
methyl N-(2-hydroxy-4-methylphenyl)carbamate
CID 61269197

Frequently Asked Questions

What is the IUPAC name of [2-(methoxycarbonylamino)-3-methylphenyl]carbamic acid?
The IUPAC name of [2-(methoxycarbonylamino)-3-methylphenyl]carbamic acid (CID 175129828) is [2-(methoxycarbonylamino)-3-methylphenyl]carbamic acid.
What is the SMILES notation for [2-(methoxycarbonylamino)-3-methylphenyl]carbamic acid?
The canonical SMILES for [2-(methoxycarbonylamino)-3-methylphenyl]carbamic acid is COC(=O)Nc1c(C)cccc1NC(=O)O.
What is the InChIKey of [2-(methoxycarbonylamino)-3-methylphenyl]carbamic acid?
The InChIKey is WROWQAMMJPYQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-6-4-3-5-7(11-9(13)14)8(6)12-10(15)16-2/h3-5,11H,1-2H3,(H,12,15)(H,13,14).
What are the key properties of [2-(methoxycarbonylamino)-3-methylphenyl]carbamic acid?
[2-(methoxycarbonylamino)-3-methylphenyl]carbamic acid has a molecular weight of 224.22 g/mol, XLogP of 2.26, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methoxycarbonylamino)-3-methylphenyl]carbamic acid is sourced from PubChem (CID 175129828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).