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

C14H15O3- — CID 7075753

IUPAC(2S,3S,5R)-2-methoxy-5-methyl-2-phenylspiro[2.2]pentane-5-carboxylate
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)/p-1/t12-,13-,14-/m0/s1
InChIKeyNEWSMEZTKJNJKD-IHRRRGAJSA-M
MW231.27 g/mol
LogP1.08
Rot. Bonds3

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

(2S,3S,5R)-2-methoxy-5-methyl-2-phenylspiro[2.2]pentane-5-carboxylate (PubChem CID 7075753) has the molecular formula C14H15O3- and a molecular weight of 231.27 g/mol. Its IUPAC name is (2S,3S,5R)-2-methoxy-5-methyl-2-phenylspiro[2.2]pentane-5-carboxylate.

Molecular Properties

Compound Name(2S,3S,5R)-2-methoxy-5-methyl-2-phenylspiro[2.2]pentane-5-carboxylate
PubChem CID7075753
Molecular FormulaC14H15O3-
Molecular Weight231.27 g/mol
Exact Mass231.10
IUPAC Name(2S,3S,5R)-2-methoxy-5-methyl-2-phenylspiro[2.2]pentane-5-carboxylate
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)/p-1/t12-,13-,14-/m0/s1
InChIKeyNEWSMEZTKJNJKD-IHRRRGAJSA-M
XLogP1.08
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S,5R)-2-methoxy-5-methyl-2-phenylspiro[2.2]pentane-5-carboxylic acid
CID 7075754
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
1-(4-methoxy-4-phenylpiperidin-1-yl)ethanone
CID 126758606
dipotassium;1,2-dimethylcyclopropane-1,2-dicarboxylate
CID 21039581
4-methoxy-4-phenylcyclohexa-1,5-diene-1-carboxylic acid
CID 152749301
sodium 3-methyl-3-phenyloxirane-2-carboxylate
CID 23672387
methyl (1S)-1,2,2-triphenylcyclopropane-1-carboxylate
CID 100975897
methyl (1S)-2,2-dichloro-1-phenylcyclopropane-1-carboxylate
CID 7127361
(1-phenylcyclopropyl) acetate
CID 121216912

Frequently Asked Questions

What is the IUPAC name of (2S,3S,5R)-2-methoxy-5-methyl-2-phenylspiro[2.2]pentane-5-carboxylate?
The IUPAC name of (2S,3S,5R)-2-methoxy-5-methyl-2-phenylspiro[2.2]pentane-5-carboxylate (CID 7075753) is (2S,3S,5R)-2-methoxy-5-methyl-2-phenylspiro[2.2]pentane-5-carboxylate.
What is the SMILES notation for (2S,3S,5R)-2-methoxy-5-methyl-2-phenylspiro[2.2]pentane-5-carboxylate?
The canonical SMILES for (2S,3S,5R)-2-methoxy-5-methyl-2-phenylspiro[2.2]pentane-5-carboxylate 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-carboxylate?
The InChIKey is NEWSMEZTKJNJKD-IHRRRGAJSA-M. 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)/p-1/t12-,13-,14-/m0/s1.
What are the key properties of (2S,3S,5R)-2-methoxy-5-methyl-2-phenylspiro[2.2]pentane-5-carboxylate?
(2S,3S,5R)-2-methoxy-5-methyl-2-phenylspiro[2.2]pentane-5-carboxylate has a molecular weight of 231.27 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 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-carboxylate is sourced from PubChem (CID 7075753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).