(1R,2R,4S,5S)-4-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]bicyclo[3.1.0]hexane-2-carboxamide

C16H21FN2O2 — CID 138011123

IUPAC(1R,2R,4S,5S)-4-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]bicyclo[3.1.0]hexane-2-carboxamide
SMILESCOc1ccc(F)cc1CCNC(=O)[C@@H]1C[C@H](N)[C@H]2C[C@H]21
InChIInChI=1S/C16H21FN2O2/c1-21-15-3-2-10(17)6-9(15)4-5-19-16(20)13-8-14(18)12-7-11(12)13/h2-3,6,11-14H,4-5,7-8,18H2,1H3,(H,19,20)/t11-,12+,13-,14+/m1/s1
InChIKeyXOONDOKTRLPCMN-RQJABVFESA-N
MW292.35 g/mol
LogP1.48
Rot. Bonds5

About (1R,2R,4S,5S)-4-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]bicyclo[3.1.0]hexane-2-carboxamide

(1R,2R,4S,5S)-4-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]bicyclo[3.1.0]hexane-2-carboxamide (PubChem CID 138011123) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is (1R,2R,4S,5S)-4-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]bicyclo[3.1.0]hexane-2-carboxamide.

Molecular Properties

Compound Name(1R,2R,4S,5S)-4-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]bicyclo[3.1.0]hexane-2-carboxamide
PubChem CID138011123
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name(1R,2R,4S,5S)-4-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]bicyclo[3.1.0]hexane-2-carboxamide
SMILESCOc1ccc(F)cc1CCNC(=O)[C@@H]1C[C@H](N)[C@H]2C[C@H]21
InChIInChI=1S/C16H21FN2O2/c1-21-15-3-2-10(17)6-9(15)4-5-19-16(20)13-8-14(18)12-7-11(12)13/h2-3,6,11-14H,4-5,7-8,18H2,1H3,(H,19,20)/t11-,12+,13-,14+/m1/s1
InChIKeyXOONDOKTRLPCMN-RQJABVFESA-N
XLogP1.48
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R,2R,4S,5S)-4-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]bicyclo[3.1.0]hexane-2-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

6-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]spiro[2.5]octane-2-carboxamide
CID 138011120
trans-(1S,2S)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 33033808
2-amino-N-[2-(2-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 103808135
4-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]butanamide
CID 115155399
1-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)ethyl]urea
CID 110775679
cis-(1R,2S)-2-[2-(2-methoxyphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 124674779
9-amino-N-[2-(2-methoxy-5-methylphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120984011
5-fluoro-2-methoxy-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 31116235
2-N-[2-(2-methoxyphenyl)ethyl]-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109137840
6-amino-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]bicyclo[3.2.0]heptane-3-carboxamide
CID 154772694
5-fluoro-2-methoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 31064262
trans-(1S,2S)-N-[2-(2-chloro-4-fluorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 95625877

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S,5S)-4-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]bicyclo[3.1.0]hexane-2-carboxamide?
The IUPAC name of (1R,2R,4S,5S)-4-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]bicyclo[3.1.0]hexane-2-carboxamide (CID 138011123) is (1R,2R,4S,5S)-4-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]bicyclo[3.1.0]hexane-2-carboxamide.
What is the SMILES notation for (1R,2R,4S,5S)-4-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]bicyclo[3.1.0]hexane-2-carboxamide?
The canonical SMILES for (1R,2R,4S,5S)-4-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]bicyclo[3.1.0]hexane-2-carboxamide is COc1ccc(F)cc1CCNC(=O)[C@@H]1C[C@H](N)[C@H]2C[C@H]21.
What is the InChIKey of (1R,2R,4S,5S)-4-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]bicyclo[3.1.0]hexane-2-carboxamide?
The InChIKey is XOONDOKTRLPCMN-RQJABVFESA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-21-15-3-2-10(17)6-9(15)4-5-19-16(20)13-8-14(18)12-7-11(12)13/h2-3,6,11-14H,4-5,7-8,18H2,1H3,(H,19,20)/t11-,12+,13-,14+/m1/s1.
What are the key properties of (1R,2R,4S,5S)-4-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]bicyclo[3.1.0]hexane-2-carboxamide?
(1R,2R,4S,5S)-4-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]bicyclo[3.1.0]hexane-2-carboxamide has a molecular weight of 292.35 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S,5S)-4-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]bicyclo[3.1.0]hexane-2-carboxamide is sourced from PubChem (CID 138011123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).