cis-(1S,2R)-2-[(3,5-dimethoxyphenyl)methyl]cyclopentane-1-carboxylic acid

C15H20O4 — CID 125472183

IUPACcis-(1S,2R)-2-[(3,5-dimethoxyphenyl)methyl]cyclopentane-1-carboxylic acid
SMILESCOc1cc(C[C@H]2CCC[C@@H]2C(=O)O)cc(OC)c1
InChIInChI=1S/C15H20O4/c1-18-12-7-10(8-13(9-12)19-2)6-11-4-3-5-14(11)15(16)17/h7-9,11,14H,3-6H2,1-2H3,(H,16,17)/t11-,14+/m1/s1
InChIKeyNCNACZUXHUGJIP-RISCZKNCSA-N
MW264.32 g/mol
LogP2.75
Rot. Bonds5

About cis-(1S,2R)-2-[(3,5-dimethoxyphenyl)methyl]cyclopentane-1-carboxylic acid

cis-(1S,2R)-2-[(3,5-dimethoxyphenyl)methyl]cyclopentane-1-carboxylic acid (PubChem CID 125472183) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is cis-(1S,2R)-2-[(3,5-dimethoxyphenyl)methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-[(3,5-dimethoxyphenyl)methyl]cyclopentane-1-carboxylic acid
PubChem CID125472183
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Namecis-(1S,2R)-2-[(3,5-dimethoxyphenyl)methyl]cyclopentane-1-carboxylic acid
SMILESCOc1cc(C[C@H]2CCC[C@@H]2C(=O)O)cc(OC)c1
InChIInChI=1S/C15H20O4/c1-18-12-7-10(8-13(9-12)19-2)6-11-4-3-5-14(11)15(16)17/h7-9,11,14H,3-6H2,1-2H3,(H,16,17)/t11-,14+/m1/s1
InChIKeyNCNACZUXHUGJIP-RISCZKNCSA-N
XLogP2.75
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-ethyl (1R,2S)-2-[(3,5-dimethoxyphenyl)methyl]cyclopentane-1-carboxylate
CID 125472358
4-[[[2-[(3,5-dimethoxyphenyl)methyl]cyclopentanecarbonyl]amino]methyl]benzoic acid
CID 118562102
2-[(3,5-dimethylphenyl)methyl]cycloheptane-1-carboxylic acid
CID 81009445
cis-(1R,2S)-2-[(4-hydroxy-3,5-diiodophenyl)methyl]cyclohexane-1-carboxylic acid
CID 76964833
4-[[[2-[(3-hydroxy-5-methoxyphenyl)methyl]cyclopentanecarbonyl]amino]methyl]benzoic acid
CID 144974031
cis-(1R,2S)-2-benzylcyclohexane-1-carboxylic acid
CID 71363465
2-[(5-bromofuran-3-yl)methyl]cyclopentane-1-carboxylic acid
CID 130877489
2-[(4-ethylphenyl)methyl]cycloheptane-1-carboxylic acid
CID 81009224
2-[(3-methoxy-5-nitrophenyl)methyl]cyclopentan-1-ol
CID 81165740
2-[(3-chloro-4-fluorophenyl)methyl]cyclopentane-1-carboxylic acid
CID 103042286
2-[(3-bromo-4-methoxyphenyl)methyl]cyclobutane-1-carboxylic acid
CID 81008346
1-[(3,5-dimethoxyphenyl)methyl]azetidine-3-carboxylic acid
CID 65072046

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[(3,5-dimethoxyphenyl)methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-[(3,5-dimethoxyphenyl)methyl]cyclopentane-1-carboxylic acid (CID 125472183) is cis-(1S,2R)-2-[(3,5-dimethoxyphenyl)methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-[(3,5-dimethoxyphenyl)methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-[(3,5-dimethoxyphenyl)methyl]cyclopentane-1-carboxylic acid is COc1cc(C[C@H]2CCC[C@@H]2C(=O)O)cc(OC)c1.
What is the InChIKey of cis-(1S,2R)-2-[(3,5-dimethoxyphenyl)methyl]cyclopentane-1-carboxylic acid?
The InChIKey is NCNACZUXHUGJIP-RISCZKNCSA-N. The full InChI is InChI=1S/C15H20O4/c1-18-12-7-10(8-13(9-12)19-2)6-11-4-3-5-14(11)15(16)17/h7-9,11,14H,3-6H2,1-2H3,(H,16,17)/t11-,14+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[(3,5-dimethoxyphenyl)methyl]cyclopentane-1-carboxylic acid?
cis-(1S,2R)-2-[(3,5-dimethoxyphenyl)methyl]cyclopentane-1-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[(3,5-dimethoxyphenyl)methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 125472183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).