cis-(1R,2S)-2-[[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid

C14H14FNO3 — CID 124779019

IUPACcis-(1R,2S)-2-[[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(N[C@@H]1C[C@@H]1c1cccc(F)c1)[C@H]1C[C@H]1C(=O)O
InChIInChI=1S/C14H14FNO3/c15-8-3-1-2-7(4-8)9-6-12(9)16-13(17)10-5-11(10)14(18)19/h1-4,9-12H,5-6H2,(H,16,17)(H,18,19)/t9-,10+,11-,12-/m1/s1
InChIKeySWKKRJVJFJKBMI-WRWGMCAJSA-N
MW263.27 g/mol
LogP1.52
Rot. Bonds4

About cis-(1R,2S)-2-[[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid

cis-(1R,2S)-2-[[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 124779019) has the molecular formula C14H14FNO3 and a molecular weight of 263.27 g/mol. Its IUPAC name is cis-(1R,2S)-2-[[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-[[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID124779019
Molecular FormulaC14H14FNO3
Molecular Weight263.27 g/mol
Exact Mass263.10
IUPAC Namecis-(1R,2S)-2-[[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(N[C@@H]1C[C@@H]1c1cccc(F)c1)[C@H]1C[C@H]1C(=O)O
InChIInChI=1S/C14H14FNO3/c15-8-3-1-2-7(4-8)9-6-12(9)16-13(17)10-5-11(10)14(18)19/h1-4,9-12H,5-6H2,(H,16,17)(H,18,19)/t9-,10+,11-,12-/m1/s1
InChIKeySWKKRJVJFJKBMI-WRWGMCAJSA-N
XLogP1.52
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze cis-(1R,2S)-2-[[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid with MolForge

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Related Compounds

1-[[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 129380118
1-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-2-methylguanidine
CID 122082343
(2R)-2-amino-N-[2-(3-fluorophenyl)cyclopropyl]propanamide
CID 119305805
1-[[2-(3-fluorophenyl)cyclopropyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123706
(3R)-N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]morpholine-3-carboxamide
CID 129425298
2-[(2-phenylcyclopropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978629
N-[2-(3-fluorophenyl)cyclopropyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 75364366
3-[[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]carbamoyl-methylamino]propanoic acid
CID 122012276
(2R)-N-[(1S,2R)-2-(3-fluorophenyl)cyclopropyl]-2-propan-2-ylsulfonylpropanamide
CID 95179447
(2R)-N-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]-2-propan-2-ylsulfonylpropanamide
CID 124734525
2-(dimethylamino)-N-[2-(3-fluorophenyl)cyclopropyl]-2-phenylacetamide
CID 71883326
trans-(1S,2S)-2-(3-fluorophenyl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 118736163

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-[[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid (CID 124779019) is cis-(1R,2S)-2-[[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-[[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-[[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid is O=C(N[C@@H]1C[C@@H]1c1cccc(F)c1)[C@H]1C[C@H]1C(=O)O.
What is the InChIKey of cis-(1R,2S)-2-[[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is SWKKRJVJFJKBMI-WRWGMCAJSA-N. The full InChI is InChI=1S/C14H14FNO3/c15-8-3-1-2-7(4-8)9-6-12(9)16-13(17)10-5-11(10)14(18)19/h1-4,9-12H,5-6H2,(H,16,17)(H,18,19)/t9-,10+,11-,12-/m1/s1.
What are the key properties of cis-(1R,2S)-2-[[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid?
cis-(1R,2S)-2-[[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 263.27 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 124779019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).