methyl 1-(4-aminophenyl)cyclopentane-1-carboxylate

C13H17NO2 — CID 15086389

IUPACmethyl 1-(4-aminophenyl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1(c2ccc(N)cc2)CCCC1
InChIInChI=1S/C13H17NO2/c1-16-12(15)13(8-2-3-9-13)10-4-6-11(14)7-5-10/h4-7H,2-3,8-9,14H2,1H3
InChIKeyYRAFDBGZZIBBLS-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.25
Rot. Bonds2

About methyl 1-(4-aminophenyl)cyclopentane-1-carboxylate

methyl 1-(4-aminophenyl)cyclopentane-1-carboxylate (PubChem CID 15086389) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is methyl 1-(4-aminophenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-aminophenyl)cyclopentane-1-carboxylate
PubChem CID15086389
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Namemethyl 1-(4-aminophenyl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1(c2ccc(N)cc2)CCCC1
InChIInChI=1S/C13H17NO2/c1-16-12(15)13(8-2-3-9-13)10-4-6-11(14)7-5-10/h4-7H,2-3,8-9,14H2,1H3
InChIKeyYRAFDBGZZIBBLS-UHFFFAOYSA-N
XLogP2.25
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-aminophenyl)cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-(4-aminophenyl)cyclopentane-1-carboxylate (CID 15086389) is methyl 1-(4-aminophenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-(4-aminophenyl)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-(4-aminophenyl)cyclopentane-1-carboxylate is COC(=O)C1(c2ccc(N)cc2)CCCC1.
What is the InChIKey of methyl 1-(4-aminophenyl)cyclopentane-1-carboxylate?
The InChIKey is YRAFDBGZZIBBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-16-12(15)13(8-2-3-9-13)10-4-6-11(14)7-5-10/h4-7H,2-3,8-9,14H2,1H3.
What are the key properties of methyl 1-(4-aminophenyl)cyclopentane-1-carboxylate?
methyl 1-(4-aminophenyl)cyclopentane-1-carboxylate has a molecular weight of 219.28 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-aminophenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 15086389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).