cis-(1R,2S)-2-[(4-methoxyphenyl)methoxycarbonyl]cyclopropane-1-carboxylic acid

C13H14O5 — CID 166500685

IUPACcis-(1R,2S)-2-[(4-methoxyphenyl)methoxycarbonyl]cyclopropane-1-carboxylic acid
SMILESCOc1ccc(COC(=O)[C@H]2C[C@H]2C(=O)O)cc1
InChIInChI=1S/C13H14O5/c1-17-9-4-2-8(3-5-9)7-18-13(16)11-6-10(11)12(14)15/h2-5,10-11H,6-7H2,1H3,(H,14,15)/t10-,11+/m1/s1
InChIKeyKPDSPUAAVNJLOU-MNOVXSKESA-N
MW250.25 g/mol
LogP1.46
Rot. Bonds5

About cis-(1R,2S)-2-[(4-methoxyphenyl)methoxycarbonyl]cyclopropane-1-carboxylic acid

cis-(1R,2S)-2-[(4-methoxyphenyl)methoxycarbonyl]cyclopropane-1-carboxylic acid (PubChem CID 166500685) has the molecular formula C13H14O5 and a molecular weight of 250.25 g/mol. Its IUPAC name is cis-(1R,2S)-2-[(4-methoxyphenyl)methoxycarbonyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-[(4-methoxyphenyl)methoxycarbonyl]cyclopropane-1-carboxylic acid
PubChem CID166500685
Molecular FormulaC13H14O5
Molecular Weight250.25 g/mol
Exact Mass250.08
IUPAC Namecis-(1R,2S)-2-[(4-methoxyphenyl)methoxycarbonyl]cyclopropane-1-carboxylic acid
SMILESCOc1ccc(COC(=O)[C@H]2C[C@H]2C(=O)O)cc1
InChIInChI=1S/C13H14O5/c1-17-9-4-2-8(3-5-9)7-18-13(16)11-6-10(11)12(14)15/h2-5,10-11H,6-7H2,1H3,(H,14,15)/t10-,11+/m1/s1
InChIKeyKPDSPUAAVNJLOU-MNOVXSKESA-N
XLogP1.46
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1R,2S)-2-phenylmethoxycarbonylcyclopropane-1-carboxylic acid
CID 70818190
(4-methoxyphenyl)methyl (2S,3R)-3-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 146030054
(2R,3S,5R,6R)-3-methoxycarbonyl-5-[(4-methoxyphenyl)methoxycarbonyl]-6-methylbicyclo[2.2.1]heptane-2-carboxylic acid
CID 59710771
(4-methoxyphenyl)methyl 2-oxooxolane-3-carboxylate
CID 141135197
(4-methoxyphenyl)methyl (2S)-4-oxoazetidine-2-carboxylate
CID 70319681
(4-methoxyphenyl)methyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate
CID 64714789
benzyl 4-(4-methoxyphenyl)pyrrolidine-3-carboxylate
CID 135307059
(1R,2R,4S)-2-ethyl-4-[(4-methoxyphenyl)methoxy]cyclopentane-1-carboxylic acid
CID 125472318
(4-methoxyphenyl)methyl 4-(hydroxymethyl)pyrrolidine-2-carboxylate
CID 123770403
(4-methoxyphenyl)methyl silylformate
CID 123289214
(4-methoxyphenyl)methoxymethanethioic S-acid
CID 139442271
2-[(4-methoxyphenyl)methoxycarbonyl]pyrrolidine-1-carboxylic acid
CID 175383774

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[(4-methoxyphenyl)methoxycarbonyl]cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-[(4-methoxyphenyl)methoxycarbonyl]cyclopropane-1-carboxylic acid (CID 166500685) is cis-(1R,2S)-2-[(4-methoxyphenyl)methoxycarbonyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-[(4-methoxyphenyl)methoxycarbonyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-[(4-methoxyphenyl)methoxycarbonyl]cyclopropane-1-carboxylic acid is COc1ccc(COC(=O)[C@H]2C[C@H]2C(=O)O)cc1.
What is the InChIKey of cis-(1R,2S)-2-[(4-methoxyphenyl)methoxycarbonyl]cyclopropane-1-carboxylic acid?
The InChIKey is KPDSPUAAVNJLOU-MNOVXSKESA-N. The full InChI is InChI=1S/C13H14O5/c1-17-9-4-2-8(3-5-9)7-18-13(16)11-6-10(11)12(14)15/h2-5,10-11H,6-7H2,1H3,(H,14,15)/t10-,11+/m1/s1.
What are the key properties of cis-(1R,2S)-2-[(4-methoxyphenyl)methoxycarbonyl]cyclopropane-1-carboxylic acid?
cis-(1R,2S)-2-[(4-methoxyphenyl)methoxycarbonyl]cyclopropane-1-carboxylic acid has a molecular weight of 250.25 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[(4-methoxyphenyl)methoxycarbonyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 166500685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).