trans-(1R,2S)-1-amino-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid

C10H10FNO2 — CID 13416169

IUPACtrans-(1R,2S)-1-amino-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid
SMILESN[C@]1(C(=O)O)C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C10H10FNO2/c11-7-3-1-6(2-4-7)8-5-10(8,12)9(13)14/h1-4,8H,5,12H2,(H,13,14)/t8-,10+/m0/s1
InChIKeyHHZRXAVJZXEFPR-WCBMZHEXSA-N
MW195.19 g/mol
LogP1.10
Rot. Bonds2

About trans-(1R,2S)-1-amino-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid

trans-(1R,2S)-1-amino-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid (PubChem CID 13416169) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is trans-(1R,2S)-1-amino-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2S)-1-amino-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid
PubChem CID13416169
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Nametrans-(1R,2S)-1-amino-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid
SMILESN[C@]1(C(=O)O)C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C10H10FNO2/c11-7-3-1-6(2-4-7)8-5-10(8,12)9(13)14/h1-4,8H,5,12H2,(H,13,14)/t8-,10+/m0/s1
InChIKeyHHZRXAVJZXEFPR-WCBMZHEXSA-N
XLogP1.10
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-2-(3-fluorophenyl)cyclopropane-1-carboxylic acid
CID 53276276
1-fluoro-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid
CID 131128796
trans-(1R,2S)-1-amino-2-(3,4-dichlorophenyl)cyclopropane-1-carboxylic acid
CID 95002465
1-amino-2-(3,4-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 53276282
cis-(1R,2R)-1-amino-2-(3,4-dichlorophenyl)cyclopropane-1-carboxylic acid
CID 95002466
cis-(1R,2R)-1-amino-2-(3,4-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 95002452
1-amino-2-(2-fluorophenyl)cyclopropane-1-carboxylic acid
CID 53276275
cis-(1S,2S)-1-amino-2-(2-fluorophenyl)cyclopropane-1-carboxylic acid
CID 95002519
trans-(1R,2S)-1-amino-2-(3-methylphenyl)cyclopropane-1-carboxylic acid
CID 95002552
1-amino-2-(3,5-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 102534399
1-ethoxycarbonyl-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid
CID 46935229
(1S)-1-amino-2-phenylcyclobutane-1-carboxylic acid
CID 155893335

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-1-amino-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2S)-1-amino-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid (CID 13416169) is trans-(1R,2S)-1-amino-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2S)-1-amino-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2S)-1-amino-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid is N[C@]1(C(=O)O)C[C@H]1c1ccc(F)cc1.
What is the InChIKey of trans-(1R,2S)-1-amino-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid?
The InChIKey is HHZRXAVJZXEFPR-WCBMZHEXSA-N. The full InChI is InChI=1S/C10H10FNO2/c11-7-3-1-6(2-4-7)8-5-10(8,12)9(13)14/h1-4,8H,5,12H2,(H,13,14)/t8-,10+/m0/s1.
What are the key properties of trans-(1R,2S)-1-amino-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid?
trans-(1R,2S)-1-amino-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid has a molecular weight of 195.19 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-1-amino-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 13416169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).