cis-(1S,2S)-1-amino-2-(2-fluorophenyl)cyclopropane-1-carboxylic acid

C10H10FNO2 — CID 95002519

IUPACcis-(1S,2S)-1-amino-2-(2-fluorophenyl)cyclopropane-1-carboxylic acid
SMILESN[C@@]1(C(=O)O)C[C@H]1c1ccccc1F
InChIInChI=1S/C10H10FNO2/c11-8-4-2-1-3-6(8)7-5-10(7,12)9(13)14/h1-4,7H,5,12H2,(H,13,14)/t7-,10-/m0/s1
InChIKeyDMOCNOVDAMKLII-XVKPBYJWSA-N
MW195.19 g/mol
LogP1.10
Rot. Bonds2

About cis-(1S,2S)-1-amino-2-(2-fluorophenyl)cyclopropane-1-carboxylic acid

cis-(1S,2S)-1-amino-2-(2-fluorophenyl)cyclopropane-1-carboxylic acid (PubChem CID 95002519) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is cis-(1S,2S)-1-amino-2-(2-fluorophenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2S)-1-amino-2-(2-fluorophenyl)cyclopropane-1-carboxylic acid
PubChem CID95002519
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Namecis-(1S,2S)-1-amino-2-(2-fluorophenyl)cyclopropane-1-carboxylic acid
SMILESN[C@@]1(C(=O)O)C[C@H]1c1ccccc1F
InChIInChI=1S/C10H10FNO2/c11-8-4-2-1-3-6(8)7-5-10(7,12)9(13)14/h1-4,7H,5,12H2,(H,13,14)/t7-,10-/m0/s1
InChIKeyDMOCNOVDAMKLII-XVKPBYJWSA-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-(2-fluorophenyl)cyclopropane-1-carboxylic acid
CID 53276275
cis-(1S,2S)-1-amino-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid
CID 95002534
2-(2-fluorophenyl)-1-methylcyclopropane-1-carboxylic acid
CID 82112065
1-amino-2-(3-fluorophenyl)cyclopropane-1-carboxylic acid
CID 53276276
trans-(1R,2S)-1-amino-2-(2,4-dichlorophenyl)cyclopropane-1-carboxylic acid
CID 95002471
15-aminotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid
CID 102209928
(1S)-1-amino-2-phenylcyclobutane-1-carboxylic acid
CID 155893335
1-amino-2-(furan-2-yl)cyclopropane-1-carboxylic acid
CID 55297115
trans-(1R,2S)-1-amino-2-(3-methylphenyl)cyclopropane-1-carboxylic acid
CID 95002552
2-(2-fluorophenyl)-1-(2-methylpropyl)cyclopropan-1-amine
CID 84675560
cis-(1S,2R)-1-amino-2-(benzenesulfonyl)cyclopropane-1-carboxylic acid
CID 99999201
1-amino-2-(2-methylphenyl)cyclopentane-1-carboxylic acid
CID 171740724

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-1-amino-2-(2-fluorophenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1S,2S)-1-amino-2-(2-fluorophenyl)cyclopropane-1-carboxylic acid (CID 95002519) is cis-(1S,2S)-1-amino-2-(2-fluorophenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2S)-1-amino-2-(2-fluorophenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2S)-1-amino-2-(2-fluorophenyl)cyclopropane-1-carboxylic acid is N[C@@]1(C(=O)O)C[C@H]1c1ccccc1F.
What is the InChIKey of cis-(1S,2S)-1-amino-2-(2-fluorophenyl)cyclopropane-1-carboxylic acid?
The InChIKey is DMOCNOVDAMKLII-XVKPBYJWSA-N. The full InChI is InChI=1S/C10H10FNO2/c11-8-4-2-1-3-6(8)7-5-10(7,12)9(13)14/h1-4,7H,5,12H2,(H,13,14)/t7-,10-/m0/s1.
What are the key properties of cis-(1S,2S)-1-amino-2-(2-fluorophenyl)cyclopropane-1-carboxylic acid?
cis-(1S,2S)-1-amino-2-(2-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 cis-(1S,2S)-1-amino-2-(2-fluorophenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 95002519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).