[(1S,2R)-2-aminocyclopentyl]-[2-(3-fluorophenyl)ethyl]carbamic acid

C14H19FN2O2 — CID 69165945

IUPAC[(1S,2R)-2-aminocyclopentyl]-[2-(3-fluorophenyl)ethyl]carbamic acid
SMILESN[C@@H]1CCC[C@@H]1N(CCc1cccc(F)c1)C(=O)O
InChIInChI=1S/C14H19FN2O2/c15-11-4-1-3-10(9-11)7-8-17(14(18)19)13-6-2-5-12(13)16/h1,3-4,9,12-13H,2,5-8,16H2,(H,18,19)/t12-,13+/m1/s1
InChIKeyADMGRWTWVRAVIX-OLZOCXBDSA-N
MW266.32 g/mol
LogP2.23
Rot. Bonds4

About [(1S,2R)-2-aminocyclopentyl]-[2-(3-fluorophenyl)ethyl]carbamic acid

[(1S,2R)-2-aminocyclopentyl]-[2-(3-fluorophenyl)ethyl]carbamic acid (PubChem CID 69165945) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is [(1S,2R)-2-aminocyclopentyl]-[2-(3-fluorophenyl)ethyl]carbamic acid.

Molecular Properties

Compound Name[(1S,2R)-2-aminocyclopentyl]-[2-(3-fluorophenyl)ethyl]carbamic acid
PubChem CID69165945
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name[(1S,2R)-2-aminocyclopentyl]-[2-(3-fluorophenyl)ethyl]carbamic acid
SMILESN[C@@H]1CCC[C@@H]1N(CCc1cccc(F)c1)C(=O)O
InChIInChI=1S/C14H19FN2O2/c15-11-4-1-3-10(9-11)7-8-17(14(18)19)13-6-2-5-12(13)16/h1,3-4,9,12-13H,2,5-8,16H2,(H,18,19)/t12-,13+/m1/s1
InChIKeyADMGRWTWVRAVIX-OLZOCXBDSA-N
XLogP2.23
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(tert-butylamino)cyclopentyl]-[2-(3-fluorophenyl)ethyl]carbamic acid
CID 67338341
N-cyclopentyl-N-[2-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119821577
[(1S,2S)-2-aminocyclohexyl]-benzylcarbamic acid
CID 91447786
4-[[cyclopentyl-[2-(3-fluorophenyl)ethyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122024382
1-(2-aminocyclopentyl)-2-(3-fluorophenyl)ethanone
CID 116580048
3-(2-aminophenyl)-N-cyclopentyl-N-[2-(3-fluorophenyl)ethyl]propanamide;hydrochloride
CID 120611880
2-[cyclopentyl-[2-(3-fluorophenyl)ethyl]carbamoyl]pyridine-4-carboxylic acid
CID 122056065
2-(2-aminoethyl)-N-cyclopentyl-N-[2-(3-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120639014
N-(2-aminocyclohexyl)-N-[(4-benzamidophenyl)methyl]-3-fluorobenzamide
CID 23904820
(2S,5R)-5-(aminomethyl)-N-cyclopropyl-N-[2-(3-fluorophenyl)ethyl]oxolane-2-carboxamide;hydrochloride
CID 120793443
1-(2-aminocycloheptyl)-2-(3-fluorophenyl)ethanone
CID 116595083
N-cyclopentyl-N-ethyl-2-(3-fluorophenyl)acetamide
CID 86926971

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-aminocyclopentyl]-[2-(3-fluorophenyl)ethyl]carbamic acid?
The IUPAC name of [(1S,2R)-2-aminocyclopentyl]-[2-(3-fluorophenyl)ethyl]carbamic acid (CID 69165945) is [(1S,2R)-2-aminocyclopentyl]-[2-(3-fluorophenyl)ethyl]carbamic acid.
What is the SMILES notation for [(1S,2R)-2-aminocyclopentyl]-[2-(3-fluorophenyl)ethyl]carbamic acid?
The canonical SMILES for [(1S,2R)-2-aminocyclopentyl]-[2-(3-fluorophenyl)ethyl]carbamic acid is N[C@@H]1CCC[C@@H]1N(CCc1cccc(F)c1)C(=O)O.
What is the InChIKey of [(1S,2R)-2-aminocyclopentyl]-[2-(3-fluorophenyl)ethyl]carbamic acid?
The InChIKey is ADMGRWTWVRAVIX-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H19FN2O2/c15-11-4-1-3-10(9-11)7-8-17(14(18)19)13-6-2-5-12(13)16/h1,3-4,9,12-13H,2,5-8,16H2,(H,18,19)/t12-,13+/m1/s1.
What are the key properties of [(1S,2R)-2-aminocyclopentyl]-[2-(3-fluorophenyl)ethyl]carbamic acid?
[(1S,2R)-2-aminocyclopentyl]-[2-(3-fluorophenyl)ethyl]carbamic acid has a molecular weight of 266.32 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-aminocyclopentyl]-[2-(3-fluorophenyl)ethyl]carbamic acid is sourced from PubChem (CID 69165945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).