phenyl 1-aminocyclopentane-1-carboxylate

C12H15NO2 — CID 45089706

IUPACphenyl 1-aminocyclopentane-1-carboxylate
SMILESNC1(C(=O)Oc2ccccc2)CCCC1
InChIInChI=1S/C12H15NO2/c13-12(8-4-5-9-12)11(14)15-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9,13H2
InChIKeyXPZZAADLBNRNEI-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.86
Rot. Bonds2

About phenyl 1-aminocyclopentane-1-carboxylate

phenyl 1-aminocyclopentane-1-carboxylate (PubChem CID 45089706) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is phenyl 1-aminocyclopentane-1-carboxylate.

Molecular Properties

Compound Namephenyl 1-aminocyclopentane-1-carboxylate
PubChem CID45089706
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Namephenyl 1-aminocyclopentane-1-carboxylate
SMILESNC1(C(=O)Oc2ccccc2)CCCC1
InChIInChI=1S/C12H15NO2/c13-12(8-4-5-9-12)11(14)15-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9,13H2
InChIKeyXPZZAADLBNRNEI-UHFFFAOYSA-N
XLogP1.86
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-phenylethyl 1-aminocycloheptane-1-carboxylate
CID 61279460
(2-fluorophenyl)methyl 1-aminocyclopentane-1-carboxylate
CID 63932845
[4-[(1E,6E)-7-[4-(1-aminocyclopropanecarbonyl)oxyphenyl]-4-hydroxy-3,5-dioxohepta-1,6-dienyl]phenyl] 1-aminocyclopropane-1-carboxylate
CID 46239038
5,7-bis(phenoxycarbonyl)adamantane-1,3-dicarboxylic acid
CID 23026466
3,5,7-tris(phenoxycarbonyl)adamantane-1-carboxylic acid
CID 23026439
(4-fluorophenyl) 1-fluorocyclopropane-1-carboxylate
CID 70650926
phenyl 2-(1-hydroxycyclohexyl)acetate
CID 57448980
phenyl N-[[1-(aminomethyl)cyclopentyl]methyl]carbamate
CID 113295201
(2-chlorophenyl)methyl 1-aminocyclopentane-1-carboxylate
CID 61278448
phenyl N-[(1-hydroxycyclohexyl)methyl]carbamate
CID 65110390
(1-aminocyclopentyl)-(4-phenylphenyl)methanone
CID 116558729
phenyl 1-[2-(methylamino)ethyl]cyclopentane-1-carboxylate;2,2,2-trifluoroacetic acid
CID 54754304

Frequently Asked Questions

What is the IUPAC name of phenyl 1-aminocyclopentane-1-carboxylate?
The IUPAC name of phenyl 1-aminocyclopentane-1-carboxylate (CID 45089706) is phenyl 1-aminocyclopentane-1-carboxylate.
What is the SMILES notation for phenyl 1-aminocyclopentane-1-carboxylate?
The canonical SMILES for phenyl 1-aminocyclopentane-1-carboxylate is NC1(C(=O)Oc2ccccc2)CCCC1.
What is the InChIKey of phenyl 1-aminocyclopentane-1-carboxylate?
The InChIKey is XPZZAADLBNRNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c13-12(8-4-5-9-12)11(14)15-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9,13H2.
What are the key properties of phenyl 1-aminocyclopentane-1-carboxylate?
phenyl 1-aminocyclopentane-1-carboxylate has a molecular weight of 205.26 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 1-aminocyclopentane-1-carboxylate is sourced from PubChem (CID 45089706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).