(2R,3R)-2-methyl-3-[3-(2-methylpropoxy)phenyl]pentanoic acid

C16H24O3 — CID 125468008

IUPAC(2R,3R)-2-methyl-3-[3-(2-methylpropoxy)phenyl]pentanoic acid
SMILESCC[C@@H](c1cccc(OCC(C)C)c1)[C@@H](C)C(=O)O
InChIInChI=1S/C16H24O3/c1-5-15(12(4)16(17)18)13-7-6-8-14(9-13)19-10-11(2)3/h6-9,11-12,15H,5,10H2,1-4H3,(H,17,18)/t12-,15-/m1/s1
InChIKeySQZGGIHNSXQGKT-IUODEOHRSA-N
MW264.37 g/mol
LogP3.94
Rot. Bonds7

About (2R,3R)-2-methyl-3-[3-(2-methylpropoxy)phenyl]pentanoic acid

(2R,3R)-2-methyl-3-[3-(2-methylpropoxy)phenyl]pentanoic acid (PubChem CID 125468008) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is (2R,3R)-2-methyl-3-[3-(2-methylpropoxy)phenyl]pentanoic acid.

Molecular Properties

Compound Name(2R,3R)-2-methyl-3-[3-(2-methylpropoxy)phenyl]pentanoic acid
PubChem CID125468008
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name(2R,3R)-2-methyl-3-[3-(2-methylpropoxy)phenyl]pentanoic acid
SMILESCC[C@@H](c1cccc(OCC(C)C)c1)[C@@H](C)C(=O)O
InChIInChI=1S/C16H24O3/c1-5-15(12(4)16(17)18)13-7-6-8-14(9-13)19-10-11(2)3/h6-9,11-12,15H,5,10H2,1-4H3,(H,17,18)/t12-,15-/m1/s1
InChIKeySQZGGIHNSXQGKT-IUODEOHRSA-N
XLogP3.94
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-2-methyl-3-(3-propoxyphenyl)pentanoic acid
CID 125467992
(2S,3R)-3-(3-butoxyphenyl)-2-methylpentanoic acid
CID 125467581
(2R,3R)-2-methyl-3-(3-pentoxyphenyl)pentanoic acid
CID 125467953
1-(2-methylpropoxy)-3-propan-2-ylbenzene
CID 23399142
ethane;1-(2-methylpropoxy)-3-propan-2-ylbenzene
CID 142361256
methyl (2R,3R)-3-(3-methoxyphenyl)-2-methylpentanoate
CID 67298001
2-(3-ethoxyphenyl)-3-[2-(2-methylpropoxy)phenyl]propanoic acid
CID 83952378
ethyl 2-[3-(2-methylpropoxy)phenoxy]acetate
CID 86689297
N,N-diethyl-3-(3-methoxyphenyl)-2-methylpentanamide
CID 71250291
(2S,3R)-3-(3-methoxyphenyl)-N,N,2-trimethylpentanamide
CID 58555143
(2R)-2-amino-2-(3-ethoxyphenyl)acetic acid
CID 7046833
2-[3-(2-methylpropoxy)anilino]propanoic acid
CID 66174540

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-methyl-3-[3-(2-methylpropoxy)phenyl]pentanoic acid?
The IUPAC name of (2R,3R)-2-methyl-3-[3-(2-methylpropoxy)phenyl]pentanoic acid (CID 125468008) is (2R,3R)-2-methyl-3-[3-(2-methylpropoxy)phenyl]pentanoic acid.
What is the SMILES notation for (2R,3R)-2-methyl-3-[3-(2-methylpropoxy)phenyl]pentanoic acid?
The canonical SMILES for (2R,3R)-2-methyl-3-[3-(2-methylpropoxy)phenyl]pentanoic acid is CC[C@@H](c1cccc(OCC(C)C)c1)[C@@H](C)C(=O)O.
What is the InChIKey of (2R,3R)-2-methyl-3-[3-(2-methylpropoxy)phenyl]pentanoic acid?
The InChIKey is SQZGGIHNSXQGKT-IUODEOHRSA-N. The full InChI is InChI=1S/C16H24O3/c1-5-15(12(4)16(17)18)13-7-6-8-14(9-13)19-10-11(2)3/h6-9,11-12,15H,5,10H2,1-4H3,(H,17,18)/t12-,15-/m1/s1.
What are the key properties of (2R,3R)-2-methyl-3-[3-(2-methylpropoxy)phenyl]pentanoic acid?
(2R,3R)-2-methyl-3-[3-(2-methylpropoxy)phenyl]pentanoic acid has a molecular weight of 264.37 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-methyl-3-[3-(2-methylpropoxy)phenyl]pentanoic acid is sourced from PubChem (CID 125468008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).