(3-methoxycarbonyl-4-methylphenyl)carbamic acid

C10H11NO4 — CID 175178489

IUPAC(3-methoxycarbonyl-4-methylphenyl)carbamic acid
SMILESCOC(=O)c1cc(NC(=O)O)ccc1C
InChIInChI=1S/C10H11NO4/c1-6-3-4-7(11-10(13)14)5-8(6)9(12)15-2/h3-5,11H,1-2H3,(H,13,14)
InChIKeyXIPPNBSOSFOGFM-UHFFFAOYSA-N
MW209.20 g/mol
LogP1.87
Rot. Bonds2

About (3-methoxycarbonyl-4-methylphenyl)carbamic acid

(3-methoxycarbonyl-4-methylphenyl)carbamic acid (PubChem CID 175178489) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is (3-methoxycarbonyl-4-methylphenyl)carbamic acid.

Molecular Properties

Compound Name(3-methoxycarbonyl-4-methylphenyl)carbamic acid
PubChem CID175178489
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name(3-methoxycarbonyl-4-methylphenyl)carbamic acid
SMILESCOC(=O)c1cc(NC(=O)O)ccc1C
InChIInChI=1S/C10H11NO4/c1-6-3-4-7(11-10(13)14)5-8(6)9(12)15-2/h3-5,11H,1-2H3,(H,13,14)
InChIKeyXIPPNBSOSFOGFM-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 5-[(2-amino-2-methylpropanoyl)amino]-2-methylbenzoate;hydrochloride
CID 119337473
methyl 2-methyl-5-(methylsulfanylamino)benzoate
CID 144982540
bromo 5-acetamido-2-methylbenzoate
CID 174576155
methyl 2-chloro-4-[(2-methylbenzoyl)amino]benzoate
CID 142567433
methyl 5-ethenyl-2-methylbenzoate
CID 10702422
methyl 5-(bromomethyl)-2-methylbenzoate
CID 86212244
3-(3-methoxycarbonyl-4-methylphenyl)prop-2-enoic acid
CID 169460774
methyl 2-chloro-5-[[2-(2-methylphenyl)acetyl]amino]benzoate
CID 38239137
ethane;methane;methyl 2-methylbenzoate
CID 168902289
methyl 5-acetyl-4-hydroxy-2-methylbenzoate
CID 13227613
[4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamic acid
CID 121000540
5-(2,2-dimethylpropanoylamino)-2-methylbenzoic acid
CID 63652956

Frequently Asked Questions

What is the IUPAC name of (3-methoxycarbonyl-4-methylphenyl)carbamic acid?
The IUPAC name of (3-methoxycarbonyl-4-methylphenyl)carbamic acid (CID 175178489) is (3-methoxycarbonyl-4-methylphenyl)carbamic acid.
What is the SMILES notation for (3-methoxycarbonyl-4-methylphenyl)carbamic acid?
The canonical SMILES for (3-methoxycarbonyl-4-methylphenyl)carbamic acid is COC(=O)c1cc(NC(=O)O)ccc1C.
What is the InChIKey of (3-methoxycarbonyl-4-methylphenyl)carbamic acid?
The InChIKey is XIPPNBSOSFOGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-6-3-4-7(11-10(13)14)5-8(6)9(12)15-2/h3-5,11H,1-2H3,(H,13,14).
What are the key properties of (3-methoxycarbonyl-4-methylphenyl)carbamic acid?
(3-methoxycarbonyl-4-methylphenyl)carbamic 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-methoxycarbonyl-4-methylphenyl)carbamic acid is sourced from PubChem (CID 175178489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).