(3R)-5-methyl-3-phenylmethoxycarbonylhexanoic acid

C15H20O4 — CID 22874407

IUPAC(3R)-5-methyl-3-phenylmethoxycarbonylhexanoic acid
SMILESCC(C)C[C@H](CC(=O)O)C(=O)OCc1ccccc1
InChIInChI=1S/C15H20O4/c1-11(2)8-13(9-14(16)17)15(18)19-10-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,16,17)/t13-/m1/s1
InChIKeyCFMRKUYJARYXBX-CYBMUJFWSA-N
MW264.32 g/mol
LogP2.87
Rot. Bonds7

About (3R)-5-methyl-3-phenylmethoxycarbonylhexanoic acid

(3R)-5-methyl-3-phenylmethoxycarbonylhexanoic acid (PubChem CID 22874407) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is (3R)-5-methyl-3-phenylmethoxycarbonylhexanoic acid.

Molecular Properties

Compound Name(3R)-5-methyl-3-phenylmethoxycarbonylhexanoic acid
PubChem CID22874407
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name(3R)-5-methyl-3-phenylmethoxycarbonylhexanoic acid
SMILESCC(C)C[C@H](CC(=O)O)C(=O)OCc1ccccc1
InChIInChI=1S/C15H20O4/c1-11(2)8-13(9-14(16)17)15(18)19-10-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,16,17)/t13-/m1/s1
InChIKeyCFMRKUYJARYXBX-CYBMUJFWSA-N
XLogP2.87
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(methoxymethyl)-4-oxo-4-phenylmethoxybutanoic acid
CID 175165808
4-methyl-2-phenylmethoxycarbonylpentanoic acid
CID 54223940
(3S)-5-methyl-3-(phenylmethoxycarbonylamino)hexanoic acid
CID 11265942
benzyl 2-amino-4-methylpentanoate;hydrochloride
CID 19885596
benzyl (2R)-2-[2-[[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]-4-methylpentanoate
CID 56982290
benzyl (2S)-4-methyl-2-[[(2S)-4-methyl-1-oxo-1-phenylmethoxypentan-2-yl]carbamoylamino]pentanoate
CID 14842513
4-oxo-4-phenylmethoxy-3-phenylmethoxycarbonylbutanoic acid
CID 23598271
3-hydroxy-4-oxo-4-phenylmethoxybutanoic acid
CID 14585849
4-methyl-2-(1-oxo-1-phenylmethoxypropan-2-yl)pentanoic acid
CID 19087579
benzyl 2-amino-3,5-dimethylhexanoate
CID 174483486
5-methyl-3-(phenylmethoxycarbonylaminomethyl)hexanoic acid
CID 65495181
2-(2-oxo-2-phenylmethoxyethyl)butanedioic acid
CID 22986863

Frequently Asked Questions

What is the IUPAC name of (3R)-5-methyl-3-phenylmethoxycarbonylhexanoic acid?
The IUPAC name of (3R)-5-methyl-3-phenylmethoxycarbonylhexanoic acid (CID 22874407) is (3R)-5-methyl-3-phenylmethoxycarbonylhexanoic acid.
What is the SMILES notation for (3R)-5-methyl-3-phenylmethoxycarbonylhexanoic acid?
The canonical SMILES for (3R)-5-methyl-3-phenylmethoxycarbonylhexanoic acid is CC(C)C[C@H](CC(=O)O)C(=O)OCc1ccccc1.
What is the InChIKey of (3R)-5-methyl-3-phenylmethoxycarbonylhexanoic acid?
The InChIKey is CFMRKUYJARYXBX-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20O4/c1-11(2)8-13(9-14(16)17)15(18)19-10-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,16,17)/t13-/m1/s1.
What are the key properties of (3R)-5-methyl-3-phenylmethoxycarbonylhexanoic acid?
(3R)-5-methyl-3-phenylmethoxycarbonylhexanoic acid has a molecular weight of 264.32 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-methyl-3-phenylmethoxycarbonylhexanoic acid is sourced from PubChem (CID 22874407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).