(1S,3R,4R)-3-amino-N-[2-(4-fluorophenyl)ethyl]-4-hydroxycyclopentane-1-carboxamide

C14H19FN2O2 — CID 155494382

IUPAC(1S,3R,4R)-3-amino-N-[2-(4-fluorophenyl)ethyl]-4-hydroxycyclopentane-1-carboxamide
SMILESN[C@@H]1C[C@H](C(=O)NCCc2ccc(F)cc2)C[C@H]1O
InChIInChI=1S/C14H19FN2O2/c15-11-3-1-9(2-4-11)5-6-17-14(19)10-7-12(16)13(18)8-10/h1-4,10,12-13,18H,5-8,16H2,(H,17,19)/t10-,12+,13+/m0/s1
InChIKeyUAGYFVRULSMPMA-CYZMBNFOSA-N
MW266.32 g/mol
LogP0.58
Rot. Bonds4

About (1S,3R,4R)-3-amino-N-[2-(4-fluorophenyl)ethyl]-4-hydroxycyclopentane-1-carboxamide

(1S,3R,4R)-3-amino-N-[2-(4-fluorophenyl)ethyl]-4-hydroxycyclopentane-1-carboxamide (PubChem CID 155494382) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is (1S,3R,4R)-3-amino-N-[2-(4-fluorophenyl)ethyl]-4-hydroxycyclopentane-1-carboxamide.

Molecular Properties

Compound Name(1S,3R,4R)-3-amino-N-[2-(4-fluorophenyl)ethyl]-4-hydroxycyclopentane-1-carboxamide
PubChem CID155494382
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name(1S,3R,4R)-3-amino-N-[2-(4-fluorophenyl)ethyl]-4-hydroxycyclopentane-1-carboxamide
SMILESN[C@@H]1C[C@H](C(=O)NCCc2ccc(F)cc2)C[C@H]1O
InChIInChI=1S/C14H19FN2O2/c15-11-3-1-9(2-4-11)5-6-17-14(19)10-7-12(16)13(18)8-10/h1-4,10,12-13,18H,5-8,16H2,(H,17,19)/t10-,12+,13+/m0/s1
InChIKeyUAGYFVRULSMPMA-CYZMBNFOSA-N
XLogP0.58
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(4-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63790115
N-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 16769811
N-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119263949
(2S,4S)-N-[2-(4-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616696
(1S,3S,4S)-3-amino-N-[2-(2-fluorophenoxy)ethyl]-4-hydroxycyclopentane-1-carboxamide
CID 155509778
2-[2-(4-fluorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60792833
(1S,3R,4R)-3-amino-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-hydroxycyclopentane-1-carboxamide;hydrochloride
CID 155940256
(1S,3S,4S)-3-amino-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-hydroxycyclopentane-1-carboxamide
CID 154818179
1-N-[2-(4-fluorophenyl)ethyl]-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130460
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide
CID 109149096
N-[2-(4-fluorophenyl)ethyl]-1-methylpyrrolidine-3-carboxamide
CID 110852538
(3R,4R)-3-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-phenylethyl)pyrrolidine-3,4-dicarboxamide
CID 154961335

Frequently Asked Questions

What is the IUPAC name of (1S,3R,4R)-3-amino-N-[2-(4-fluorophenyl)ethyl]-4-hydroxycyclopentane-1-carboxamide?
The IUPAC name of (1S,3R,4R)-3-amino-N-[2-(4-fluorophenyl)ethyl]-4-hydroxycyclopentane-1-carboxamide (CID 155494382) is (1S,3R,4R)-3-amino-N-[2-(4-fluorophenyl)ethyl]-4-hydroxycyclopentane-1-carboxamide.
What is the SMILES notation for (1S,3R,4R)-3-amino-N-[2-(4-fluorophenyl)ethyl]-4-hydroxycyclopentane-1-carboxamide?
The canonical SMILES for (1S,3R,4R)-3-amino-N-[2-(4-fluorophenyl)ethyl]-4-hydroxycyclopentane-1-carboxamide is N[C@@H]1C[C@H](C(=O)NCCc2ccc(F)cc2)C[C@H]1O.
What is the InChIKey of (1S,3R,4R)-3-amino-N-[2-(4-fluorophenyl)ethyl]-4-hydroxycyclopentane-1-carboxamide?
The InChIKey is UAGYFVRULSMPMA-CYZMBNFOSA-N. The full InChI is InChI=1S/C14H19FN2O2/c15-11-3-1-9(2-4-11)5-6-17-14(19)10-7-12(16)13(18)8-10/h1-4,10,12-13,18H,5-8,16H2,(H,17,19)/t10-,12+,13+/m0/s1.
What are the key properties of (1S,3R,4R)-3-amino-N-[2-(4-fluorophenyl)ethyl]-4-hydroxycyclopentane-1-carboxamide?
(1S,3R,4R)-3-amino-N-[2-(4-fluorophenyl)ethyl]-4-hydroxycyclopentane-1-carboxamide has a molecular weight of 266.32 g/mol, XLogP of 0.58, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,4R)-3-amino-N-[2-(4-fluorophenyl)ethyl]-4-hydroxycyclopentane-1-carboxamide is sourced from PubChem (CID 155494382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).