(2S,3S,5R)-2-methoxy-5-methyl-2-phenylspiro[2.2]pentane-5-carboxylic acid

C14H16O3 — CID 7075754

IUPAC(2S,3S,5R)-2-methoxy-5-methyl-2-phenylspiro[2.2]pentane-5-carboxylic acid
SMILESCO[C@]1(c2ccccc2)C[C@]12C[C@@]2(C)C(=O)O
InChIInChI=1S/C14H16O3/c1-12(11(15)16)8-13(12)9-14(13,17-2)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,15,16)/t12-,13-,14-/m0/s1
InChIKeyNEWSMEZTKJNJKD-IHRRRGAJSA-N
MW232.28 g/mol
LogP2.41
Rot. Bonds3

About (2S,3S,5R)-2-methoxy-5-methyl-2-phenylspiro[2.2]pentane-5-carboxylic acid

(2S,3S,5R)-2-methoxy-5-methyl-2-phenylspiro[2.2]pentane-5-carboxylic acid (PubChem CID 7075754) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is (2S,3S,5R)-2-methoxy-5-methyl-2-phenylspiro[2.2]pentane-5-carboxylic acid.

Molecular Properties

Compound Name(2S,3S,5R)-2-methoxy-5-methyl-2-phenylspiro[2.2]pentane-5-carboxylic acid
PubChem CID7075754
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name(2S,3S,5R)-2-methoxy-5-methyl-2-phenylspiro[2.2]pentane-5-carboxylic acid
SMILESCO[C@]1(c2ccccc2)C[C@]12C[C@@]2(C)C(=O)O
InChIInChI=1S/C14H16O3/c1-12(11(15)16)8-13(12)9-14(13,17-2)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,15,16)/t12-,13-,14-/m0/s1
InChIKeyNEWSMEZTKJNJKD-IHRRRGAJSA-N
XLogP2.41
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S,5R)-2-methoxy-5-methyl-2-phenylspiro[2.2]pentane-5-carboxylate
CID 7075753
trimethyl-[(1R,2R)-1-methyl-2-phenyl-2-trimethylsilyloxycyclopropyl]oxysilane
CID 102015524
(1R)-1-methyl-2,2-diphenylcyclopropane-1-carboxamide
CID 86339419
methyl (1R)-2-methyl-2-phenyl-1-(pyrrole-1-carbonyl)cyclopropane-1-carboxylate
CID 134847838
1-ethyl-2-methoxy-2-phenylcyclohexane-1-carboxamide
CID 69480248
trans-(1S,2R)-1-amino-2-methyl-2-phenylcyclopropane-1-carboxylic acid;hydrochloride
CID 126795409
4-methoxy-4-phenylcyclohexa-1,5-diene-1-carboxylic acid
CID 152749301
methyl (1S)-2,2-dichloro-1-phenylcyclopropane-1-carboxylate
CID 7127361
methyl (1S)-1,2,2-triphenylcyclopropane-1-carboxylate
CID 100975897
2,2-diphenylcyclopropane-1,1-dicarboxylic acid
CID 18401961
methyl 2-(hydroxymethyl)-1-phenylcyclopropane-1-carboxylate
CID 58725238
methyl (1S)-1-amino-2,2-diphenylcyclopropane-1-carboxylate
CID 129408452

Frequently Asked Questions

What is the IUPAC name of (2S,3S,5R)-2-methoxy-5-methyl-2-phenylspiro[2.2]pentane-5-carboxylic acid?
The IUPAC name of (2S,3S,5R)-2-methoxy-5-methyl-2-phenylspiro[2.2]pentane-5-carboxylic acid (CID 7075754) is (2S,3S,5R)-2-methoxy-5-methyl-2-phenylspiro[2.2]pentane-5-carboxylic acid.
What is the SMILES notation for (2S,3S,5R)-2-methoxy-5-methyl-2-phenylspiro[2.2]pentane-5-carboxylic acid?
The canonical SMILES for (2S,3S,5R)-2-methoxy-5-methyl-2-phenylspiro[2.2]pentane-5-carboxylic acid is CO[C@]1(c2ccccc2)C[C@]12C[C@@]2(C)C(=O)O.
What is the InChIKey of (2S,3S,5R)-2-methoxy-5-methyl-2-phenylspiro[2.2]pentane-5-carboxylic acid?
The InChIKey is NEWSMEZTKJNJKD-IHRRRGAJSA-N. The full InChI is InChI=1S/C14H16O3/c1-12(11(15)16)8-13(12)9-14(13,17-2)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,15,16)/t12-,13-,14-/m0/s1.
What are the key properties of (2S,3S,5R)-2-methoxy-5-methyl-2-phenylspiro[2.2]pentane-5-carboxylic acid?
(2S,3S,5R)-2-methoxy-5-methyl-2-phenylspiro[2.2]pentane-5-carboxylic acid has a molecular weight of 232.28 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5R)-2-methoxy-5-methyl-2-phenylspiro[2.2]pentane-5-carboxylic acid is sourced from PubChem (CID 7075754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).