(4-methylanilino)carbamic acid

C8H10N2O2 — CID 70617245

IUPAC(4-methylanilino)carbamic acid
SMILESCc1ccc(NNC(=O)O)cc1
InChIInChI=1S/C8H10N2O2/c1-6-2-4-7(5-3-6)9-10-8(11)12/h2-5,9-10H,1H3,(H,11,12)
InChIKeyUAGMQXKLEZTYPS-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.59
Rot. Bonds2

About (4-methylanilino)carbamic acid

(4-methylanilino)carbamic acid (PubChem CID 70617245) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is (4-methylanilino)carbamic acid.

Molecular Properties

Compound Name(4-methylanilino)carbamic acid
PubChem CID70617245
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name(4-methylanilino)carbamic acid
SMILESCc1ccc(NNC(=O)O)cc1
InChIInChI=1S/C8H10N2O2/c1-6-2-4-7(5-3-6)9-10-8(11)12/h2-5,9-10H,1H3,(H,11,12)
InChIKeyUAGMQXKLEZTYPS-UHFFFAOYSA-N
XLogP1.59
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-methylanilino)carbamic acid?
The IUPAC name of (4-methylanilino)carbamic acid (CID 70617245) is (4-methylanilino)carbamic acid.
What is the SMILES notation for (4-methylanilino)carbamic acid?
The canonical SMILES for (4-methylanilino)carbamic acid is Cc1ccc(NNC(=O)O)cc1.
What is the InChIKey of (4-methylanilino)carbamic acid?
The InChIKey is UAGMQXKLEZTYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-6-2-4-7(5-3-6)9-10-8(11)12/h2-5,9-10H,1H3,(H,11,12).
What are the key properties of (4-methylanilino)carbamic acid?
(4-methylanilino)carbamic acid has a molecular weight of 166.18 g/mol, XLogP of 1.59, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylanilino)carbamic acid is sourced from PubChem (CID 70617245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).