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

C14H15N3O3 — CID 153395194

IUPACtrans-ethyl (1R,2R)-2-[(2-amino-5-cyanophenyl)carbamoyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@@H]1C[C@H]1C(=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)/t9-,10-/m1/s1
InChIKeyCUTNBJFDOQUWKY-NXEZZACHSA-N
MW273.29 g/mol
LogP1.28
Rot. Bonds4

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

trans-ethyl (1R,2R)-2-[(2-amino-5-cyanophenyl)carbamoyl]cyclopropane-1-carboxylate (PubChem CID 153395194) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is trans-ethyl (1R,2R)-2-[(2-amino-5-cyanophenyl)carbamoyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-ethyl (1R,2R)-2-[(2-amino-5-cyanophenyl)carbamoyl]cyclopropane-1-carboxylate
PubChem CID153395194
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Nametrans-ethyl (1R,2R)-2-[(2-amino-5-cyanophenyl)carbamoyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@@H]1C[C@H]1C(=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)/t9-,10-/m1/s1
InChIKeyCUTNBJFDOQUWKY-NXEZZACHSA-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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Related Compounds

ethyl 2-[(2-amino-5-cyanophenyl)carbamoyl]cyclopropane-1-carboxylate
CID 146302694
tert-butyl N-(2-amino-5-cyanophenyl)carbamate
CID 18545768
trans-(1R,2R)-1-N,2-N-bis(4-cyanophenyl)cyclopropane-1,2-dicarboxamide
CID 124628395
2-N-(3-cyanophenyl)-1-N-(2-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109140997
ethyl 2-(4-cyano-2-hydroxyanilino)-2-oxoacetate
CID 154157486
ethyl 3-(2-amino-5-cyanophenyl)prop-2-enoate
CID 169480310
N-(2-amino-5-methoxyphenyl)-2-ethoxycyclopropane-1-carboxamide;hydrochloride
CID 119421788
N-(2-amino-4-cyanophenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107174932
ethyl 2-(benzylcarbamoyl)cyclopropane-1-carboxylate
CID 102105176
1-N-(3-cyanophenyl)-2-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141101
ethyl 4-(2-amino-4-cyanoanilino)butanoate
CID 64577491
[(1R,3S)-3-[(2-amino-5-cyanoanilino)methyl]cyclohexyl]methylcarbamic acid
CID 176671996

Frequently Asked Questions

What is the IUPAC name of trans-ethyl (1R,2R)-2-[(2-amino-5-cyanophenyl)carbamoyl]cyclopropane-1-carboxylate?
The IUPAC name of trans-ethyl (1R,2R)-2-[(2-amino-5-cyanophenyl)carbamoyl]cyclopropane-1-carboxylate (CID 153395194) is trans-ethyl (1R,2R)-2-[(2-amino-5-cyanophenyl)carbamoyl]cyclopropane-1-carboxylate.
What is the SMILES notation for trans-ethyl (1R,2R)-2-[(2-amino-5-cyanophenyl)carbamoyl]cyclopropane-1-carboxylate?
The canonical SMILES for trans-ethyl (1R,2R)-2-[(2-amino-5-cyanophenyl)carbamoyl]cyclopropane-1-carboxylate is CCOC(=O)[C@@H]1C[C@H]1C(=O)Nc1cc(C#N)ccc1N.
What is the InChIKey of trans-ethyl (1R,2R)-2-[(2-amino-5-cyanophenyl)carbamoyl]cyclopropane-1-carboxylate?
The InChIKey is CUTNBJFDOQUWKY-NXEZZACHSA-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)/t9-,10-/m1/s1.
What are the key properties of trans-ethyl (1R,2R)-2-[(2-amino-5-cyanophenyl)carbamoyl]cyclopropane-1-carboxylate?
trans-ethyl (1R,2R)-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 trans-ethyl (1R,2R)-2-[(2-amino-5-cyanophenyl)carbamoyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 153395194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).