(2R)-2-(4-methyl-3-oxopentyl)butanedioic acid

C10H16O5 — CID 88992958

IUPAC(2R)-2-(4-methyl-3-oxopentyl)butanedioic acid
SMILESCC(C)C(=O)CC[C@H](CC(=O)O)C(=O)O
InChIInChI=1S/C10H16O5/c1-6(2)8(11)4-3-7(10(14)15)5-9(12)13/h6-7H,3-5H2,1-2H3,(H,12,13)(H,14,15)/t7-/m1/s1
InChIKeyYTAVYYGTAZOEHE-SSDOTTSWSA-N
MW216.23 g/mol
LogP1.17
Rot. Bonds7

About (2R)-2-(4-methyl-3-oxopentyl)butanedioic acid

(2R)-2-(4-methyl-3-oxopentyl)butanedioic acid (PubChem CID 88992958) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is (2R)-2-(4-methyl-3-oxopentyl)butanedioic acid.

Molecular Properties

Compound Name(2R)-2-(4-methyl-3-oxopentyl)butanedioic acid
PubChem CID88992958
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name(2R)-2-(4-methyl-3-oxopentyl)butanedioic acid
SMILESCC(C)C(=O)CC[C@H](CC(=O)O)C(=O)O
InChIInChI=1S/C10H16O5/c1-6(2)8(11)4-3-7(10(14)15)5-9(12)13/h6-7H,3-5H2,1-2H3,(H,12,13)(H,14,15)/t7-/m1/s1
InChIKeyYTAVYYGTAZOEHE-SSDOTTSWSA-N
XLogP1.17
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3-oxobutyl)butanedioic acid
CID 88997259
hexane-1,2,5-tricarboxylic acid
CID 14251275
2-(3-methoxy-3-oxopropyl)butanedioic acid
CID 54112724
(2S)-2-propylbutanedioic acid
CID 12648185
(2R)-11-[[(1S)-1-carboxy-5-methyl-4-oxohexyl]amino]-2-(4-methyl-3-oxopentyl)-4,11-dioxoundecanoic acid
CID 147169147
2-(5-methylhexyl)butanedioic acid
CID 174966499
2-[2-(3,4-dicarboxybutyldiazenyl)ethyl]butanedioic acid
CID 141273463
nonane-1,2,8,9-tetracarboxylic acid
CID 139878415
butane-1,2,4-tricarboxylic acid;butan-2-ylphosphonic acid
CID 175517249
heptane-1,2,7-tricarboxylic acid
CID 86256210
2-(2-methylsulfanylethyl)butanedioic acid
CID 91591111
2-(3,3-dimethylbutyl)butanedioic acid
CID 87993022

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methyl-3-oxopentyl)butanedioic acid?
The IUPAC name of (2R)-2-(4-methyl-3-oxopentyl)butanedioic acid (CID 88992958) is (2R)-2-(4-methyl-3-oxopentyl)butanedioic acid.
What is the SMILES notation for (2R)-2-(4-methyl-3-oxopentyl)butanedioic acid?
The canonical SMILES for (2R)-2-(4-methyl-3-oxopentyl)butanedioic acid is CC(C)C(=O)CC[C@H](CC(=O)O)C(=O)O.
What is the InChIKey of (2R)-2-(4-methyl-3-oxopentyl)butanedioic acid?
The InChIKey is YTAVYYGTAZOEHE-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H16O5/c1-6(2)8(11)4-3-7(10(14)15)5-9(12)13/h6-7H,3-5H2,1-2H3,(H,12,13)(H,14,15)/t7-/m1/s1.
What are the key properties of (2R)-2-(4-methyl-3-oxopentyl)butanedioic acid?
(2R)-2-(4-methyl-3-oxopentyl)butanedioic acid has a molecular weight of 216.23 g/mol, XLogP of 1.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methyl-3-oxopentyl)butanedioic acid is sourced from PubChem (CID 88992958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).