(4-aminophenyl)carbamoyl cyclopropanecarboxylate

C11H12N2O3 — CID 175187353

IUPAC(4-aminophenyl)carbamoyl cyclopropanecarboxylate
SMILESNc1ccc(NC(=O)OC(=O)C2CC2)cc1
InChIInChI=1S/C11H12N2O3/c12-8-3-5-9(6-4-8)13-11(15)16-10(14)7-1-2-7/h3-7H,1-2,12H2,(H,13,15)
InChIKeyWNPJZMHTZLOJBP-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.75
Rot. Bonds2

About (4-aminophenyl)carbamoyl cyclopropanecarboxylate

(4-aminophenyl)carbamoyl cyclopropanecarboxylate (PubChem CID 175187353) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is (4-aminophenyl)carbamoyl cyclopropanecarboxylate.

Molecular Properties

Compound Name(4-aminophenyl)carbamoyl cyclopropanecarboxylate
PubChem CID175187353
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name(4-aminophenyl)carbamoyl cyclopropanecarboxylate
SMILESNc1ccc(NC(=O)OC(=O)C2CC2)cc1
InChIInChI=1S/C11H12N2O3/c12-8-3-5-9(6-4-8)13-11(15)16-10(14)7-1-2-7/h3-7H,1-2,12H2,(H,13,15)
InChIKeyWNPJZMHTZLOJBP-UHFFFAOYSA-N
XLogP1.75
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

bis[(4-aminophenyl)carbamoyl] cyclobutane-1,3-dicarboxylate
CID 146451370
cyclobutyl N-(4-aminophenyl)carbamate
CID 62139706
1-(4-aminophenyl)-3-cyclopropylurea
CID 25324133
1-adamantyl N-(4-aminophenyl)carbamate
CID 89196644
(4-aminophenyl)carbamoyl propaneperoxoate
CID 140585869
bis[(4-acetylphenyl)carbamoyl] cyclohexane-1,2-dicarboxylate
CID 174440183
9H-fluoren-9-ylmethyl N-(4-aminophenyl)carbamate
CID 11450338
(1-methylcyclopropyl)methyl N-(4-aminophenyl)carbamate
CID 89344820
(5-fluorothiophen-2-yl)carbamoyl cyclopropanecarboxylate
CID 175380364
(2S,6R)-N-(4-aminophenyl)-2,6-dimethylpiperidine-1-carboxamide
CID 93056889
[4-(cyclopropanecarbonylamino)phenyl] cyclopropanecarboxylate
CID 11601220
[4-(phenylmethoxycarbonylamino)phenyl] cyclopropanecarboxylate
CID 67154778

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)carbamoyl cyclopropanecarboxylate?
The IUPAC name of (4-aminophenyl)carbamoyl cyclopropanecarboxylate (CID 175187353) is (4-aminophenyl)carbamoyl cyclopropanecarboxylate.
What is the SMILES notation for (4-aminophenyl)carbamoyl cyclopropanecarboxylate?
The canonical SMILES for (4-aminophenyl)carbamoyl cyclopropanecarboxylate is Nc1ccc(NC(=O)OC(=O)C2CC2)cc1.
What is the InChIKey of (4-aminophenyl)carbamoyl cyclopropanecarboxylate?
The InChIKey is WNPJZMHTZLOJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c12-8-3-5-9(6-4-8)13-11(15)16-10(14)7-1-2-7/h3-7H,1-2,12H2,(H,13,15).
What are the key properties of (4-aminophenyl)carbamoyl cyclopropanecarboxylate?
(4-aminophenyl)carbamoyl cyclopropanecarboxylate has a molecular weight of 220.23 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)carbamoyl cyclopropanecarboxylate is sourced from PubChem (CID 175187353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).