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

C14H19FN2O3 — CID 155509778

IUPAC(1S,3S,4S)-3-amino-N-[2-(2-fluorophenoxy)ethyl]-4-hydroxycyclopentane-1-carboxamide
SMILESN[C@H]1C[C@H](C(=O)NCCOc2ccccc2F)C[C@@H]1O
InChIInChI=1S/C14H19FN2O3/c15-10-3-1-2-4-13(10)20-6-5-17-14(19)9-7-11(16)12(18)8-9/h1-4,9,11-12,18H,5-8,16H2,(H,17,19)/t9-,11-,12-/m0/s1
InChIKeyBLCCJGLBTFPBSD-DLOVCJGASA-N
MW282.31 g/mol
LogP0.42
Rot. Bonds5

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

(1S,3S,4S)-3-amino-N-[2-(2-fluorophenoxy)ethyl]-4-hydroxycyclopentane-1-carboxamide (PubChem CID 155509778) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is (1S,3S,4S)-3-amino-N-[2-(2-fluorophenoxy)ethyl]-4-hydroxycyclopentane-1-carboxamide.

Molecular Properties

Compound Name(1S,3S,4S)-3-amino-N-[2-(2-fluorophenoxy)ethyl]-4-hydroxycyclopentane-1-carboxamide
PubChem CID155509778
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC Name(1S,3S,4S)-3-amino-N-[2-(2-fluorophenoxy)ethyl]-4-hydroxycyclopentane-1-carboxamide
SMILESN[C@H]1C[C@H](C(=O)NCCOc2ccccc2F)C[C@@H]1O
InChIInChI=1S/C14H19FN2O3/c15-10-3-1-2-4-13(10)20-6-5-17-14(19)9-7-11(16)12(18)8-9/h1-4,9,11-12,18H,5-8,16H2,(H,17,19)/t9-,11-,12-/m0/s1
InChIKeyBLCCJGLBTFPBSD-DLOVCJGASA-N
XLogP0.42
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1S,3S,4S)-3-amino-N-[2-(2-fluorophenoxy)ethyl]-4-hydroxycyclopentane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-fluorophenoxy)ethyl]cyclopent-3-ene-1-carboxamide
CID 131923892
N-[2-(2-fluorophenoxy)ethyl]pyrrolidine-2-carboxamide
CID 110481245
1-cyclopropyl-N-[2-(2-fluorophenoxy)ethyl]-6-oxopiperidine-3-carboxamide
CID 45227376
9-amino-N-[2-(2-phenylphenoxy)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120987690
1-[2-(2-fluorophenoxy)ethyl]-N-propylpiperidine-4-carboxamide
CID 134046317
N-[2-(2-fluorophenoxy)ethyl]-9H-xanthene-9-carboxamide
CID 7927585
N-[2-(2-fluorophenoxy)ethyl]-2-methylpropanamide
CID 110478459
3-amino-N-[2-(2-methylphenoxy)ethyl]cyclohexane-1-carboxamide
CID 119742923
9-amino-N-[2-(2-phenylphenoxy)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120987689
(2R)-2-amino-N-[2-(2-fluorophenoxy)ethyl]propanamide;hydrochloride
CID 119266845
3-amino-N-[2-(2-methylphenoxy)ethyl]cyclopentane-1-carboxamide
CID 119742919
(1S,3R,4R)-3-amino-4-hydroxy-N-(3-pyridin-2-ylpropyl)cyclopentane-1-carboxamide
CID 155501002

Frequently Asked Questions

What is the IUPAC name of (1S,3S,4S)-3-amino-N-[2-(2-fluorophenoxy)ethyl]-4-hydroxycyclopentane-1-carboxamide?
The IUPAC name of (1S,3S,4S)-3-amino-N-[2-(2-fluorophenoxy)ethyl]-4-hydroxycyclopentane-1-carboxamide (CID 155509778) is (1S,3S,4S)-3-amino-N-[2-(2-fluorophenoxy)ethyl]-4-hydroxycyclopentane-1-carboxamide.
What is the SMILES notation for (1S,3S,4S)-3-amino-N-[2-(2-fluorophenoxy)ethyl]-4-hydroxycyclopentane-1-carboxamide?
The canonical SMILES for (1S,3S,4S)-3-amino-N-[2-(2-fluorophenoxy)ethyl]-4-hydroxycyclopentane-1-carboxamide is N[C@H]1C[C@H](C(=O)NCCOc2ccccc2F)C[C@@H]1O.
What is the InChIKey of (1S,3S,4S)-3-amino-N-[2-(2-fluorophenoxy)ethyl]-4-hydroxycyclopentane-1-carboxamide?
The InChIKey is BLCCJGLBTFPBSD-DLOVCJGASA-N. The full InChI is InChI=1S/C14H19FN2O3/c15-10-3-1-2-4-13(10)20-6-5-17-14(19)9-7-11(16)12(18)8-9/h1-4,9,11-12,18H,5-8,16H2,(H,17,19)/t9-,11-,12-/m0/s1.
What are the key properties of (1S,3S,4S)-3-amino-N-[2-(2-fluorophenoxy)ethyl]-4-hydroxycyclopentane-1-carboxamide?
(1S,3S,4S)-3-amino-N-[2-(2-fluorophenoxy)ethyl]-4-hydroxycyclopentane-1-carboxamide has a molecular weight of 282.31 g/mol, XLogP of 0.42, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,4S)-3-amino-N-[2-(2-fluorophenoxy)ethyl]-4-hydroxycyclopentane-1-carboxamide is sourced from PubChem (CID 155509778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).