(2R,4S)-2,4-dihydroxy-3-[(2R)-2-methylbutyl]pentanedioic acid

C10H18O6 — CID 101365578

IUPAC(2R,4S)-2,4-dihydroxy-3-[(2R)-2-methylbutyl]pentanedioic acid
SMILESCC[C@@H](C)CC([C@H](O)C(=O)O)[C@@H](O)C(=O)O
InChIInChI=1S/C10H18O6/c1-3-5(2)4-6(7(11)9(13)14)8(12)10(15)16/h5-8,11-12H,3-4H2,1-2H3,(H,13,14)(H,15,16)/t5-,6?,7-,8+/m1/s1
InChIKeyPSDOAYKTWSSLIJ-HWBGAQDOSA-N
MW234.25 g/mol
LogP-0.07
Rot. Bonds7

About (2R,4S)-2,4-dihydroxy-3-[(2R)-2-methylbutyl]pentanedioic acid

(2R,4S)-2,4-dihydroxy-3-[(2R)-2-methylbutyl]pentanedioic acid (PubChem CID 101365578) has the molecular formula C10H18O6 and a molecular weight of 234.25 g/mol. Its IUPAC name is (2R,4S)-2,4-dihydroxy-3-[(2R)-2-methylbutyl]pentanedioic acid.

Molecular Properties

Compound Name(2R,4S)-2,4-dihydroxy-3-[(2R)-2-methylbutyl]pentanedioic acid
PubChem CID101365578
Molecular FormulaC10H18O6
Molecular Weight234.25 g/mol
Exact Mass234.11
IUPAC Name(2R,4S)-2,4-dihydroxy-3-[(2R)-2-methylbutyl]pentanedioic acid
SMILESCC[C@@H](C)CC([C@H](O)C(=O)O)[C@@H](O)C(=O)O
InChIInChI=1S/C10H18O6/c1-3-5(2)4-6(7(11)9(13)14)8(12)10(15)16/h5-8,11-12H,3-4H2,1-2H3,(H,13,14)(H,15,16)/t5-,6?,7-,8+/m1/s1
InChIKeyPSDOAYKTWSSLIJ-HWBGAQDOSA-N
XLogP-0.07
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 5-0.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2R,4S)-2,4-dihydroxy-3-[(2R)-2-methylbutyl]pentanedioic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2,4-dihydroxy-3-[(2R)-2-methylbutyl]pentanedioic acid?
The IUPAC name of (2R,4S)-2,4-dihydroxy-3-[(2R)-2-methylbutyl]pentanedioic acid (CID 101365578) is (2R,4S)-2,4-dihydroxy-3-[(2R)-2-methylbutyl]pentanedioic acid.
What is the SMILES notation for (2R,4S)-2,4-dihydroxy-3-[(2R)-2-methylbutyl]pentanedioic acid?
The canonical SMILES for (2R,4S)-2,4-dihydroxy-3-[(2R)-2-methylbutyl]pentanedioic acid is CC[C@@H](C)CC([C@H](O)C(=O)O)[C@@H](O)C(=O)O.
What is the InChIKey of (2R,4S)-2,4-dihydroxy-3-[(2R)-2-methylbutyl]pentanedioic acid?
The InChIKey is PSDOAYKTWSSLIJ-HWBGAQDOSA-N. The full InChI is InChI=1S/C10H18O6/c1-3-5(2)4-6(7(11)9(13)14)8(12)10(15)16/h5-8,11-12H,3-4H2,1-2H3,(H,13,14)(H,15,16)/t5-,6?,7-,8+/m1/s1.
What are the key properties of (2R,4S)-2,4-dihydroxy-3-[(2R)-2-methylbutyl]pentanedioic acid?
(2R,4S)-2,4-dihydroxy-3-[(2R)-2-methylbutyl]pentanedioic acid has a molecular weight of 234.25 g/mol, XLogP of -0.07, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2,4-dihydroxy-3-[(2R)-2-methylbutyl]pentanedioic acid is sourced from PubChem (CID 101365578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).