ethyl 2-[(2-amino-5-cyanophenyl)carbamoyl]cyclopropane-1-carboxylate

C14H15N3O3 — CID 146302694

IUPACethyl 2-[(2-amino-5-cyanophenyl)carbamoyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1C(=O)Nc1cc(C#N)ccc1N
InChIInChI=1S/C14H15N3O3/c1-2-20-14(19)10-6-9(10)13(18)17-12-5-8(7-15)3-4-11(12)16/h3-5,9-10H,2,6,16H2,1H3,(H,17,18)
InChIKeyCUTNBJFDOQUWKY-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.28
Rot. Bonds4

About ethyl 2-[(2-amino-5-cyanophenyl)carbamoyl]cyclopropane-1-carboxylate

ethyl 2-[(2-amino-5-cyanophenyl)carbamoyl]cyclopropane-1-carboxylate (PubChem CID 146302694) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is ethyl 2-[(2-amino-5-cyanophenyl)carbamoyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2-amino-5-cyanophenyl)carbamoyl]cyclopropane-1-carboxylate
PubChem CID146302694
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Nameethyl 2-[(2-amino-5-cyanophenyl)carbamoyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1C(=O)Nc1cc(C#N)ccc1N
InChIInChI=1S/C14H15N3O3/c1-2-20-14(19)10-6-9(10)13(18)17-12-5-8(7-15)3-4-11(12)16/h3-5,9-10H,2,6,16H2,1H3,(H,17,18)
InChIKeyCUTNBJFDOQUWKY-UHFFFAOYSA-N
XLogP1.28
TPSA105.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-amino-5-cyanophenyl)carbamoyl]cyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-[(2-amino-5-cyanophenyl)carbamoyl]cyclopropane-1-carboxylate (CID 146302694) is ethyl 2-[(2-amino-5-cyanophenyl)carbamoyl]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-[(2-amino-5-cyanophenyl)carbamoyl]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-[(2-amino-5-cyanophenyl)carbamoyl]cyclopropane-1-carboxylate is CCOC(=O)C1CC1C(=O)Nc1cc(C#N)ccc1N.
What is the InChIKey of ethyl 2-[(2-amino-5-cyanophenyl)carbamoyl]cyclopropane-1-carboxylate?
The InChIKey is CUTNBJFDOQUWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-2-20-14(19)10-6-9(10)13(18)17-12-5-8(7-15)3-4-11(12)16/h3-5,9-10H,2,6,16H2,1H3,(H,17,18).
What are the key properties of ethyl 2-[(2-amino-5-cyanophenyl)carbamoyl]cyclopropane-1-carboxylate?
ethyl 2-[(2-amino-5-cyanophenyl)carbamoyl]cyclopropane-1-carboxylate has a molecular weight of 273.29 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-amino-5-cyanophenyl)carbamoyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 146302694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).