(2R,3R,4S)-2-benzyl-4-hydroxy-3-(2-methylpropanoyloxy)pentanoic acid

C16H22O5 — CID 147267326

IUPAC(2R,3R,4S)-2-benzyl-4-hydroxy-3-(2-methylpropanoyloxy)pentanoic acid
SMILESCC(C)C(=O)O[C@@H]([C@H](C)O)[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C16H22O5/c1-10(2)16(20)21-14(11(3)17)13(15(18)19)9-12-7-5-4-6-8-12/h4-8,10-11,13-14,17H,9H2,1-3H3,(H,18,19)/t11-,13+,14-/m0/s1
InChIKeyCPTDKKQBPWCWCQ-YUTCNCBUSA-N
MW294.35 g/mol
LogP1.88
Rot. Bonds7

About (2R,3R,4S)-2-benzyl-4-hydroxy-3-(2-methylpropanoyloxy)pentanoic acid

(2R,3R,4S)-2-benzyl-4-hydroxy-3-(2-methylpropanoyloxy)pentanoic acid (PubChem CID 147267326) has the molecular formula C16H22O5 and a molecular weight of 294.35 g/mol. Its IUPAC name is (2R,3R,4S)-2-benzyl-4-hydroxy-3-(2-methylpropanoyloxy)pentanoic acid.

Molecular Properties

Compound Name(2R,3R,4S)-2-benzyl-4-hydroxy-3-(2-methylpropanoyloxy)pentanoic acid
PubChem CID147267326
Molecular FormulaC16H22O5
Molecular Weight294.35 g/mol
Exact Mass294.15
IUPAC Name(2R,3R,4S)-2-benzyl-4-hydroxy-3-(2-methylpropanoyloxy)pentanoic acid
SMILESCC(C)C(=O)O[C@@H]([C@H](C)O)[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C16H22O5/c1-10(2)16(20)21-14(11(3)17)13(15(18)19)9-12-7-5-4-6-8-12/h4-8,10-11,13-14,17H,9H2,1-3H3,(H,18,19)/t11-,13+,14-/m0/s1
InChIKeyCPTDKKQBPWCWCQ-YUTCNCBUSA-N
XLogP1.88
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R,3R,4S)-2-benzyl-4-hydroxy-3-(2-methylpropanoyloxy)pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl 4-(2-amino-3-hydroxybutanoyl)oxy-2-benzyl-3-(2-methylpropanoyloxy)pentanoate
CID 18681776
actinium;benzyl 4-(2-amino-3-hydroxybutanoyl)oxy-2-benzyl-3-(2-methylpropanoyloxy)pentanoate
CID 18681775
dipropan-2-yl (2R,3S)-2-benzyl-3-hydroxybutanedioate
CID 14264444
propan-2-yl (2R)-2-benzyl-3-methylbutanoate
CID 89429198
propan-2-yl (2S)-2-benzyl-3-methylbutanoate
CID 132595294
tert-butyl (2R,3R)-2-benzyl-3-hydroxybutanoate
CID 100968642
2-benzyl-4-ethoxy-3-hydroxy-4-oxobutanoic acid
CID 22022904
(2S,3R)-2-benzyl-3-hydroxybutanedioic acid
CID 10944089
benzyl 2-benzyl-4-(2-methyl-3-phenylmethoxypropanoyl)oxy-3-(2-methylpropanoyloxy)pentanoate
CID 18682173
(2S,3S)-3-methyl-4-phenylbutan-2-ol
CID 11194521
3-benzyl-4-ethoxy-2-hydroxy-4-oxobutanoic acid
CID 69330508
methyl (2R)-2-benzyl-3-methylbutanoate
CID 59852467

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S)-2-benzyl-4-hydroxy-3-(2-methylpropanoyloxy)pentanoic acid?
The IUPAC name of (2R,3R,4S)-2-benzyl-4-hydroxy-3-(2-methylpropanoyloxy)pentanoic acid (CID 147267326) is (2R,3R,4S)-2-benzyl-4-hydroxy-3-(2-methylpropanoyloxy)pentanoic acid.
What is the SMILES notation for (2R,3R,4S)-2-benzyl-4-hydroxy-3-(2-methylpropanoyloxy)pentanoic acid?
The canonical SMILES for (2R,3R,4S)-2-benzyl-4-hydroxy-3-(2-methylpropanoyloxy)pentanoic acid is CC(C)C(=O)O[C@@H]([C@H](C)O)[C@@H](Cc1ccccc1)C(=O)O.
What is the InChIKey of (2R,3R,4S)-2-benzyl-4-hydroxy-3-(2-methylpropanoyloxy)pentanoic acid?
The InChIKey is CPTDKKQBPWCWCQ-YUTCNCBUSA-N. The full InChI is InChI=1S/C16H22O5/c1-10(2)16(20)21-14(11(3)17)13(15(18)19)9-12-7-5-4-6-8-12/h4-8,10-11,13-14,17H,9H2,1-3H3,(H,18,19)/t11-,13+,14-/m0/s1.
What are the key properties of (2R,3R,4S)-2-benzyl-4-hydroxy-3-(2-methylpropanoyloxy)pentanoic acid?
(2R,3R,4S)-2-benzyl-4-hydroxy-3-(2-methylpropanoyloxy)pentanoic acid has a molecular weight of 294.35 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-2-benzyl-4-hydroxy-3-(2-methylpropanoyloxy)pentanoic acid is sourced from PubChem (CID 147267326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).