(1S,2S,3S)-3-amino-2-(4-fluorophenyl)cyclopentane-1-carboxamide

C12H15FN2O — CID 22885763

IUPAC(1S,2S,3S)-3-amino-2-(4-fluorophenyl)cyclopentane-1-carboxamide
SMILESNC(=O)[C@H]1CC[C@H](N)[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C12H15FN2O/c13-8-3-1-7(2-4-8)11-9(12(15)16)5-6-10(11)14/h1-4,9-11H,5-6,14H2,(H2,15,16)/t9-,10-,11+/m0/s1
InChIKeyKOZNIWIKYPGMNY-GARJFASQSA-N
MW222.26 g/mol
LogP1.13
Rot. Bonds2

About (1S,2S,3S)-3-amino-2-(4-fluorophenyl)cyclopentane-1-carboxamide

(1S,2S,3S)-3-amino-2-(4-fluorophenyl)cyclopentane-1-carboxamide (PubChem CID 22885763) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is (1S,2S,3S)-3-amino-2-(4-fluorophenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name(1S,2S,3S)-3-amino-2-(4-fluorophenyl)cyclopentane-1-carboxamide
PubChem CID22885763
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name(1S,2S,3S)-3-amino-2-(4-fluorophenyl)cyclopentane-1-carboxamide
SMILESNC(=O)[C@H]1CC[C@H](N)[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C12H15FN2O/c13-8-3-1-7(2-4-8)11-9(12(15)16)5-6-10(11)14/h1-4,9-11H,5-6,14H2,(H2,15,16)/t9-,10-,11+/m0/s1
InChIKeyKOZNIWIKYPGMNY-GARJFASQSA-N
XLogP1.13
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 66485215
trans-(1S,2S)-2-aminocyclobutane-1-carboxamide
CID 97301417
1-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]pyrrolidine-3,4-dicarboxamide;hydrochloride
CID 175158537
2-[(1R,3S,4R)-4-amino-3-(4-fluorophenyl)cyclohexyl]acetic acid
CID 123536470
N-(diaminomethylidene)-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 54517711
2-(4-fluorophenyl)cyclopropane-1-carbonyl chloride
CID 45081780
cis-(1R,2S)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide
CID 124562405
3-(4-fluorophenyl)oxirane-2-carboxamide
CID 53427164
(1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluorophenyl)cyclopentan-1-amine
CID 102251714
(3S,4R)-4-(4-fluorophenyl)piperidin-1-ide-3-carboxylic acid;tungsten
CID 59215176
4,5,9,10-tetrakis(4-fluorophenyl)tricyclo[6.2.0.03,6]decane-2,7-dione
CID 122374958
trans-(1S,2S)-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide
CID 129348570

Frequently Asked Questions

What is the IUPAC name of (1S,2S,3S)-3-amino-2-(4-fluorophenyl)cyclopentane-1-carboxamide?
The IUPAC name of (1S,2S,3S)-3-amino-2-(4-fluorophenyl)cyclopentane-1-carboxamide (CID 22885763) is (1S,2S,3S)-3-amino-2-(4-fluorophenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for (1S,2S,3S)-3-amino-2-(4-fluorophenyl)cyclopentane-1-carboxamide?
The canonical SMILES for (1S,2S,3S)-3-amino-2-(4-fluorophenyl)cyclopentane-1-carboxamide is NC(=O)[C@H]1CC[C@H](N)[C@@H]1c1ccc(F)cc1.
What is the InChIKey of (1S,2S,3S)-3-amino-2-(4-fluorophenyl)cyclopentane-1-carboxamide?
The InChIKey is KOZNIWIKYPGMNY-GARJFASQSA-N. The full InChI is InChI=1S/C12H15FN2O/c13-8-3-1-7(2-4-8)11-9(12(15)16)5-6-10(11)14/h1-4,9-11H,5-6,14H2,(H2,15,16)/t9-,10-,11+/m0/s1.
What are the key properties of (1S,2S,3S)-3-amino-2-(4-fluorophenyl)cyclopentane-1-carboxamide?
(1S,2S,3S)-3-amino-2-(4-fluorophenyl)cyclopentane-1-carboxamide has a molecular weight of 222.26 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3S)-3-amino-2-(4-fluorophenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 22885763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).