[3-(methoxycarbonylamino)-4-methylphenyl]carbamic acid

C10H12N2O4 — CID 122673353

IUPAC[3-(methoxycarbonylamino)-4-methylphenyl]carbamic acid
SMILESCOC(=O)Nc1cc(NC(=O)O)ccc1C
InChIInChI=1S/C10H12N2O4/c1-6-3-4-7(11-9(13)14)5-8(6)12-10(15)16-2/h3-5,11H,1-2H3,(H,12,15)(H,13,14)
InChIKeyOZCNVRNXLAMPQZ-UHFFFAOYSA-N
MW224.22 g/mol
LogP2.26
Rot. Bonds2

About [3-(methoxycarbonylamino)-4-methylphenyl]carbamic acid

[3-(methoxycarbonylamino)-4-methylphenyl]carbamic acid (PubChem CID 122673353) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is [3-(methoxycarbonylamino)-4-methylphenyl]carbamic acid.

Molecular Properties

Compound Name[3-(methoxycarbonylamino)-4-methylphenyl]carbamic acid
PubChem CID122673353
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name[3-(methoxycarbonylamino)-4-methylphenyl]carbamic acid
SMILESCOC(=O)Nc1cc(NC(=O)O)ccc1C
InChIInChI=1S/C10H12N2O4/c1-6-3-4-7(11-9(13)14)5-8(6)12-10(15)16-2/h3-5,11H,1-2H3,(H,12,15)(H,13,14)
InChIKeyOZCNVRNXLAMPQZ-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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Frequently Asked Questions

What is the IUPAC name of [3-(methoxycarbonylamino)-4-methylphenyl]carbamic acid?
The IUPAC name of [3-(methoxycarbonylamino)-4-methylphenyl]carbamic acid (CID 122673353) is [3-(methoxycarbonylamino)-4-methylphenyl]carbamic acid.
What is the SMILES notation for [3-(methoxycarbonylamino)-4-methylphenyl]carbamic acid?
The canonical SMILES for [3-(methoxycarbonylamino)-4-methylphenyl]carbamic acid is COC(=O)Nc1cc(NC(=O)O)ccc1C.
What is the InChIKey of [3-(methoxycarbonylamino)-4-methylphenyl]carbamic acid?
The InChIKey is OZCNVRNXLAMPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-6-3-4-7(11-9(13)14)5-8(6)12-10(15)16-2/h3-5,11H,1-2H3,(H,12,15)(H,13,14).
What are the key properties of [3-(methoxycarbonylamino)-4-methylphenyl]carbamic acid?
[3-(methoxycarbonylamino)-4-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 [3-(methoxycarbonylamino)-4-methylphenyl]carbamic acid is sourced from PubChem (CID 122673353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).