4-aminobenzoic acid;ethyl carbamate

C10H14N2O4 — CID 174892580

IUPAC4-aminobenzoic acid;ethyl carbamate
SMILESCCOC(N)=O.Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C7H7NO2.C3H7NO2/c8-6-3-1-5(2-4-6)7(9)10;1-2-6-3(4)5/h1-4H,8H2,(H,9,10);2H2,1H3,(H2,4,5)
InChIKeyYDBSKOPQQVZPHR-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.07
Rot. Bonds2

About 4-aminobenzoic acid;ethyl carbamate

4-aminobenzoic acid;ethyl carbamate (PubChem CID 174892580) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 4-aminobenzoic acid;ethyl carbamate.

Molecular Properties

Compound Name4-aminobenzoic acid;ethyl carbamate
PubChem CID174892580
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name4-aminobenzoic acid;ethyl carbamate
SMILESCCOC(N)=O.Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C7H7NO2.C3H7NO2/c8-6-3-1-5(2-4-6)7(9)10;1-2-6-3(4)5/h1-4H,8H2,(H,9,10);2H2,1H3,(H2,4,5)
InChIKeyYDBSKOPQQVZPHR-UHFFFAOYSA-N
XLogP1.07
TPSA115.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-aminobenzoic acid;hydrofluoride
CID 159690577
ethyl 4-aminobenzoate
CID 2337
bis(4-aminobenzoic acid);ethene
CID 158776608
butane;ethyl 4-aminobenzoate
CID 67389405
bis(4-aminobenzoic acid);butane-1,1-diol
CID 66968350
ethyl carbamate
CID 21202847
ethyl carbamate
CID 161409576
ethyl carbamate
CID 158786750
4-[2-(4-aminophenoxy)ethoxy]benzoic acid
CID 82147710
3,4-diaminobenzoic acid;ethyl 3,4-diaminobenzoate
CID 159294295
4-aminobenzoic acid;cyclohexane-1,2,3,4,5,6-hexol
CID 67913871
benzoic acid;4-methylaniline
CID 86190446

Frequently Asked Questions

What is the IUPAC name of 4-aminobenzoic acid;ethyl carbamate?
The IUPAC name of 4-aminobenzoic acid;ethyl carbamate (CID 174892580) is 4-aminobenzoic acid;ethyl carbamate.
What is the SMILES notation for 4-aminobenzoic acid;ethyl carbamate?
The canonical SMILES for 4-aminobenzoic acid;ethyl carbamate is CCOC(N)=O.Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-aminobenzoic acid;ethyl carbamate?
The InChIKey is YDBSKOPQQVZPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2.C3H7NO2/c8-6-3-1-5(2-4-6)7(9)10;1-2-6-3(4)5/h1-4H,8H2,(H,9,10);2H2,1H3,(H2,4,5).
What are the key properties of 4-aminobenzoic acid;ethyl carbamate?
4-aminobenzoic acid;ethyl carbamate has a molecular weight of 226.23 g/mol, XLogP of 1.07, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobenzoic acid;ethyl carbamate is sourced from PubChem (CID 174892580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).