(2R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-6-phenyl-2-propan-2-ylhexanoic acid

C20H30O4 — CID 20658003

IUPAC(2R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-6-phenyl-2-propan-2-ylhexanoic acid
SMILESCC(C)[C@@H](C(=O)O)C(CCCc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C20H30O4/c1-14(2)17(18(21)22)16(19(23)24-20(3,4)5)13-9-12-15-10-7-6-8-11-15/h6-8,10-11,14,16-17H,9,12-13H2,1-5H3,(H,21,22)/t16?,17-/m1/s1
InChIKeySBFKFYAPPGVMTR-ZYMOGRSISA-N
MW334.46 g/mol
LogP4.32
Rot. Bonds8

About (2R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-6-phenyl-2-propan-2-ylhexanoic acid

(2R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-6-phenyl-2-propan-2-ylhexanoic acid (PubChem CID 20658003) has the molecular formula C20H30O4 and a molecular weight of 334.46 g/mol. Its IUPAC name is (2R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-6-phenyl-2-propan-2-ylhexanoic acid.

Molecular Properties

Compound Name(2R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-6-phenyl-2-propan-2-ylhexanoic acid
PubChem CID20658003
Molecular FormulaC20H30O4
Molecular Weight334.46 g/mol
Exact Mass334.21
IUPAC Name(2R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-6-phenyl-2-propan-2-ylhexanoic acid
SMILESCC(C)[C@@H](C(=O)O)C(CCCc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C20H30O4/c1-14(2)17(18(21)22)16(19(23)24-20(3,4)5)13-9-12-15-10-7-6-8-11-15/h6-8,10-11,14,16-17H,9,12-13H2,1-5H3,(H,21,22)/t16?,17-/m1/s1
InChIKeySBFKFYAPPGVMTR-ZYMOGRSISA-N
XLogP4.32
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-(2-phenylethyl)butanoic acid
CID 155669884
(2S)-2-benzyl-7-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]octanoic acid
CID 118499272
7-phenyl-2-propan-2-ylheptanoic acid
CID 15660880
tert-butyl N-[(2S)-5-phenylpentan-2-yl]carbamate
CID 174720496
tert-butyl 2-methyl-3-oxo-6-phenylhexanoate
CID 139977690
(2R)-3-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylpentanoic acid
CID 56923716
tert-butyl 2-hydroxy-3-oxo-7-phenylheptanoate
CID 91177366
4-O-benzyl 1-O-tert-butyl (2S,3S)-2-(3-hydroxypropyl)-3-methylbutanedioate
CID 121340253
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid
CID 2761801
[4-[2-[[(2R,3S)-6-(4-hydroxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-propan-2-ylhexanoyl]amino]ethyl]phenyl]boronic acid
CID 134880144
4-O-benzyl 1-O-tert-butyl 3-methyl-2-pentylbutanedioate
CID 175438683
tert-butyl (2R,3R)-2-benzyl-3-hydroxybutanoate
CID 100968642

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-6-phenyl-2-propan-2-ylhexanoic acid?
The IUPAC name of (2R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-6-phenyl-2-propan-2-ylhexanoic acid (CID 20658003) is (2R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-6-phenyl-2-propan-2-ylhexanoic acid.
What is the SMILES notation for (2R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-6-phenyl-2-propan-2-ylhexanoic acid?
The canonical SMILES for (2R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-6-phenyl-2-propan-2-ylhexanoic acid is CC(C)[C@@H](C(=O)O)C(CCCc1ccccc1)C(=O)OC(C)(C)C.
What is the InChIKey of (2R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-6-phenyl-2-propan-2-ylhexanoic acid?
The InChIKey is SBFKFYAPPGVMTR-ZYMOGRSISA-N. The full InChI is InChI=1S/C20H30O4/c1-14(2)17(18(21)22)16(19(23)24-20(3,4)5)13-9-12-15-10-7-6-8-11-15/h6-8,10-11,14,16-17H,9,12-13H2,1-5H3,(H,21,22)/t16?,17-/m1/s1.
What are the key properties of (2R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-6-phenyl-2-propan-2-ylhexanoic acid?
(2R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-6-phenyl-2-propan-2-ylhexanoic acid has a molecular weight of 334.46 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-6-phenyl-2-propan-2-ylhexanoic acid is sourced from PubChem (CID 20658003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).