cis-(1R,2S)-2-[hydroxy(phenyl)methyl]cyclopropane-1-carboxylic acid

C11H12O3 — CID 130979849

IUPACcis-(1R,2S)-2-[hydroxy(phenyl)methyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H]1C(O)c1ccccc1
InChIInChI=1S/C11H12O3/c12-10(7-4-2-1-3-5-7)8-6-9(8)11(13)14/h1-5,8-10,12H,6H2,(H,13,14)/t8-,9+,10?/m0/s1
InChIKeyOYGNNZOJLFWBEA-QIIDTADFSA-N
MW192.21 g/mol
LogP1.44
Rot. Bonds3

About cis-(1R,2S)-2-[hydroxy(phenyl)methyl]cyclopropane-1-carboxylic acid

cis-(1R,2S)-2-[hydroxy(phenyl)methyl]cyclopropane-1-carboxylic acid (PubChem CID 130979849) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is cis-(1R,2S)-2-[hydroxy(phenyl)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-[hydroxy(phenyl)methyl]cyclopropane-1-carboxylic acid
PubChem CID130979849
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Namecis-(1R,2S)-2-[hydroxy(phenyl)methyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H]1C(O)c1ccccc1
InChIInChI=1S/C11H12O3/c12-10(7-4-2-1-3-5-7)8-6-9(8)11(13)14/h1-5,8-10,12H,6H2,(H,13,14)/t8-,9+,10?/m0/s1
InChIKeyOYGNNZOJLFWBEA-QIIDTADFSA-N
XLogP1.44
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,2R)-2-[hydroxy(phenyl)methyl]cyclopropane-1-carboxylic acid
CID 165353427
2-[hydroxy(phenyl)methyl]-4-methylcyclopentane-1-carboxylic acid
CID 114392534
(S)-phenyl-[(1S,2S)-2-prop-1-en-2-ylcyclopropyl]methanol
CID 100973323
(R)-phenyl-[(1S,2R)-2-prop-1-en-2-ylcyclopropyl]methanol
CID 15855453
2-[dimethylamino(phenyl)methyl]cyclopropane-1-carboxylic acid
CID 116908350
2-(2-amino-1-hydroxy-3-phenylpropyl)cyclopropane-1-carboxylic acid
CID 70065894
2-(1-carboxy-4,4-diphenylbutyl)cyclopropane-1-carboxylic acid
CID 70066167
2-[hydroxy-(4-propan-2-yloxyphenyl)methyl]-4-methylcyclopentane-1-carboxylic acid
CID 114392545
trans-(1S,2S)-2-(dihydroxymethyl)cyclopropane-1-carboxylic acid
CID 89399959
4-ethyl-2-[hydroxy-(4-methoxyphenyl)methyl]cyclopentane-1-carboxylic acid
CID 114512775
2-[(4-chlorophenyl)-hydroxymethyl]cyclopentane-1-carboxylic acid
CID 103979671
(2R,3R,5S,6R)-tricyclo[5.4.0.02,6]undeca-1(11),7,9-triene-3,5-dicarboxylic acid
CID 11876849

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[hydroxy(phenyl)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-[hydroxy(phenyl)methyl]cyclopropane-1-carboxylic acid (CID 130979849) is cis-(1R,2S)-2-[hydroxy(phenyl)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-[hydroxy(phenyl)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-[hydroxy(phenyl)methyl]cyclopropane-1-carboxylic acid is O=C(O)[C@@H]1C[C@@H]1C(O)c1ccccc1.
What is the InChIKey of cis-(1R,2S)-2-[hydroxy(phenyl)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is OYGNNZOJLFWBEA-QIIDTADFSA-N. The full InChI is InChI=1S/C11H12O3/c12-10(7-4-2-1-3-5-7)8-6-9(8)11(13)14/h1-5,8-10,12H,6H2,(H,13,14)/t8-,9+,10?/m0/s1.
What are the key properties of cis-(1R,2S)-2-[hydroxy(phenyl)methyl]cyclopropane-1-carboxylic acid?
cis-(1R,2S)-2-[hydroxy(phenyl)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 192.21 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[hydroxy(phenyl)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 130979849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).