3-[(1R,2S)-2-phenylcyclopropyl]propanoic acid

C12H14O2 — CID 124603501

IUPAC3-[(1R,2S)-2-phenylcyclopropyl]propanoic acid
SMILESO=C(O)CC[C@@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C12H14O2/c13-12(14)7-6-10-8-11(10)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,13,14)/t10-,11-/m1/s1
InChIKeyVSNVEQYAZIXLPA-GHMZBOCLSA-N
MW190.24 g/mol
LogP2.65
Rot. Bonds4

About 3-[(1R,2S)-2-phenylcyclopropyl]propanoic acid

3-[(1R,2S)-2-phenylcyclopropyl]propanoic acid (PubChem CID 124603501) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 3-[(1R,2S)-2-phenylcyclopropyl]propanoic acid.

Molecular Properties

Compound Name3-[(1R,2S)-2-phenylcyclopropyl]propanoic acid
PubChem CID124603501
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name3-[(1R,2S)-2-phenylcyclopropyl]propanoic acid
SMILESO=C(O)CC[C@@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C12H14O2/c13-12(14)7-6-10-8-11(10)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,13,14)/t10-,11-/m1/s1
InChIKeyVSNVEQYAZIXLPA-GHMZBOCLSA-N
XLogP2.65
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-phenylcyclopropyl)pentan-3-one
CID 116518251
4-[[(1R,2R)-2-phenylcyclopropyl]methylcarbamoylamino]butanoic acid
CID 122015490
3-(4-phenyl-1,3-dioxetan-2-yl)propanoic acid
CID 70327887
N-[(2-phenylcyclopropyl)methyl]acetamide
CID 70274109
N-[[(1R,2R)-2-phenylcyclopropyl]methyl]acetamide
CID 70274106
3-[(2-phenylcyclopropyl)methylamino]propanamide
CID 115919599
[(1S,2R)-2-phenylcyclopropyl]methyl benzoate
CID 135011727
3-(3-phenyl-2,3-dihydro-1H-inden-1-yl)propanoic acid
CID 3055290
1-hydroxy-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]urea
CID 15015094
[(1R,2R)-2-hexylcyclopropyl]benzene
CID 100977396
3-(2-bromocyclopropyl)propanoic acid
CID 150783249
1-methoxy-3-(2-phenylcyclopropyl)propan-2-one
CID 161462275

Frequently Asked Questions

What is the IUPAC name of 3-[(1R,2S)-2-phenylcyclopropyl]propanoic acid?
The IUPAC name of 3-[(1R,2S)-2-phenylcyclopropyl]propanoic acid (CID 124603501) is 3-[(1R,2S)-2-phenylcyclopropyl]propanoic acid.
What is the SMILES notation for 3-[(1R,2S)-2-phenylcyclopropyl]propanoic acid?
The canonical SMILES for 3-[(1R,2S)-2-phenylcyclopropyl]propanoic acid is O=C(O)CC[C@@H]1C[C@@H]1c1ccccc1.
What is the InChIKey of 3-[(1R,2S)-2-phenylcyclopropyl]propanoic acid?
The InChIKey is VSNVEQYAZIXLPA-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H14O2/c13-12(14)7-6-10-8-11(10)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,13,14)/t10-,11-/m1/s1.
What are the key properties of 3-[(1R,2S)-2-phenylcyclopropyl]propanoic acid?
3-[(1R,2S)-2-phenylcyclopropyl]propanoic acid has a molecular weight of 190.24 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,2S)-2-phenylcyclopropyl]propanoic acid is sourced from PubChem (CID 124603501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).