(2R)-2-(2-methylpropyl)-4-oxopentanoic acid

C9H16O3 — CID 59074115

IUPAC(2R)-2-(2-methylpropyl)-4-oxopentanoic acid
SMILESCC(=O)C[C@@H](CC(C)C)C(=O)O
InChIInChI=1S/C9H16O3/c1-6(2)4-8(9(11)12)5-7(3)10/h6,8H,4-5H2,1-3H3,(H,11,12)/t8-/m1/s1
InChIKeyNJEBNTMXNUBMPE-MRVPVSSYSA-N
MW172.22 g/mol
LogP1.71
Rot. Bonds5

About (2R)-2-(2-methylpropyl)-4-oxopentanoic acid

(2R)-2-(2-methylpropyl)-4-oxopentanoic acid (PubChem CID 59074115) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is (2R)-2-(2-methylpropyl)-4-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-2-(2-methylpropyl)-4-oxopentanoic acid
PubChem CID59074115
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name(2R)-2-(2-methylpropyl)-4-oxopentanoic acid
SMILESCC(=O)C[C@@H](CC(C)C)C(=O)O
InChIInChI=1S/C9H16O3/c1-6(2)4-8(9(11)12)5-7(3)10/h6,8H,4-5H2,1-3H3,(H,11,12)/t8-/m1/s1
InChIKeyNJEBNTMXNUBMPE-MRVPVSSYSA-N
XLogP1.71
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

alumane;4-methyl-2-(2-methylpropyl)pentanoic acid
CID 173457515
4,5-dihydroxy-2-(2-oxopropyl)pentanoic acid
CID 174575032
(2R)-2-(fluoromethyl)-4-methylpentanoic acid
CID 129304901
2-(2-ethoxy-2-oxoethyl)-4-methylpentanoic acid
CID 14303036
2-(methylsulfanylmethyl)-4-oxopentanoic acid
CID 157156436
2-(acetylsulfanylmethyl)-4-methylpentanoic acid
CID 13017557
bis(cerium(3+));4-methylpentan-2-one;tris(oxygen(2-))
CID 158984879
4-(bromomethyl)-6-methylheptan-2-one
CID 59098286
(3S)-3-(2-methylpropyl)-5-oxohexanoic acid;(3R)-3-(2-methylpropyl)-5-oxohexanoic acid;3-(2-methylpropyl)pentanedioic acid
CID 161158229
(2R,5S)-2-butyl-7-methyl-5-[[(2S)-2-(2-methylpropyl)-4-oxopentanoyl]amino]-4-oxooctanoic acid
CID 159208105
(2R)-2-[2-(azocan-1-yl)-2-oxoethyl]-4-methylpentanoic acid
CID 54139015
(2S)-2-methyl-4-oxopentanoic acid
CID 10942448

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methylpropyl)-4-oxopentanoic acid?
The IUPAC name of (2R)-2-(2-methylpropyl)-4-oxopentanoic acid (CID 59074115) is (2R)-2-(2-methylpropyl)-4-oxopentanoic acid.
What is the SMILES notation for (2R)-2-(2-methylpropyl)-4-oxopentanoic acid?
The canonical SMILES for (2R)-2-(2-methylpropyl)-4-oxopentanoic acid is CC(=O)C[C@@H](CC(C)C)C(=O)O.
What is the InChIKey of (2R)-2-(2-methylpropyl)-4-oxopentanoic acid?
The InChIKey is NJEBNTMXNUBMPE-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H16O3/c1-6(2)4-8(9(11)12)5-7(3)10/h6,8H,4-5H2,1-3H3,(H,11,12)/t8-/m1/s1.
What are the key properties of (2R)-2-(2-methylpropyl)-4-oxopentanoic acid?
(2R)-2-(2-methylpropyl)-4-oxopentanoic acid has a molecular weight of 172.22 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methylpropyl)-4-oxopentanoic acid is sourced from PubChem (CID 59074115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).