(2R,3S)-2,3-di(propan-2-yl)butanedioic acid

C10H18O4 — CID 95004211

IUPAC(2R,3S)-2,3-di(propan-2-yl)butanedioic acid
SMILESCC(C)[C@@H](C(=O)O)[C@@H](C(=O)O)C(C)C
InChIInChI=1S/C10H18O4/c1-5(2)7(9(11)12)8(6(3)4)10(13)14/h5-8H,1-4H3,(H,11,12)(H,13,14)/t7-,8+
InChIKeyHSCLUIKEZDGKBP-OCAPTIKFSA-N
MW202.25 g/mol
LogP1.70
Rot. Bonds5

About (2R,3S)-2,3-di(propan-2-yl)butanedioic acid

(2R,3S)-2,3-di(propan-2-yl)butanedioic acid (PubChem CID 95004211) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is (2R,3S)-2,3-di(propan-2-yl)butanedioic acid.

Molecular Properties

Compound Name(2R,3S)-2,3-di(propan-2-yl)butanedioic acid
PubChem CID95004211
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name(2R,3S)-2,3-di(propan-2-yl)butanedioic acid
SMILESCC(C)[C@@H](C(=O)O)[C@@H](C(=O)O)C(C)C
InChIInChI=1S/C10H18O4/c1-5(2)7(9(11)12)8(6(3)4)10(13)14/h5-8H,1-4H3,(H,11,12)(H,13,14)/t7-,8+
InChIKeyHSCLUIKEZDGKBP-OCAPTIKFSA-N
XLogP1.70
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R,3S)-2,3-di(propan-2-yl)butanedioic 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

acetic acid;alumane;3-methyl-2-propan-2-ylbutanoic acid
CID 175060887
3-methoxycarbonyl-4-methyl-2-propan-2-ylpentanoic acid
CID 118404303
3-hydroxy-2-propan-2-ylpentanoic acid
CID 62398643
(2S)-4-methoxy-3-methoxycarbonyl-4-oxo-2-propan-2-ylbutanoic acid
CID 87816169
(2S,3S)-2-hydrazinyl-3-propan-2-ylbutanedioic acid
CID 15275461
(2R,3R)-3-hydroxy-4-methoxy-4-oxo-2-propan-2-ylbutanoic acid
CID 162867940
4,4-dimethyl-3-(methylamino)-2-propan-2-ylpentanoic acid
CID 116959763
2-methylpropanoic acid
CID 173073412
azane;2-methylpropanoic acid;hydrate
CID 161320294
cerium;tris(2-methylpropanoic acid)
CID 153360547
alumane;2-methylpropanoic acid
CID 173068323
2-hydroxypropanoic acid
CID 87075455

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2,3-di(propan-2-yl)butanedioic acid?
The IUPAC name of (2R,3S)-2,3-di(propan-2-yl)butanedioic acid (CID 95004211) is (2R,3S)-2,3-di(propan-2-yl)butanedioic acid.
What is the SMILES notation for (2R,3S)-2,3-di(propan-2-yl)butanedioic acid?
The canonical SMILES for (2R,3S)-2,3-di(propan-2-yl)butanedioic acid is CC(C)[C@@H](C(=O)O)[C@@H](C(=O)O)C(C)C.
What is the InChIKey of (2R,3S)-2,3-di(propan-2-yl)butanedioic acid?
The InChIKey is HSCLUIKEZDGKBP-OCAPTIKFSA-N. The full InChI is InChI=1S/C10H18O4/c1-5(2)7(9(11)12)8(6(3)4)10(13)14/h5-8H,1-4H3,(H,11,12)(H,13,14)/t7-,8+.
What are the key properties of (2R,3S)-2,3-di(propan-2-yl)butanedioic acid?
(2R,3S)-2,3-di(propan-2-yl)butanedioic acid has a molecular weight of 202.25 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2,3-di(propan-2-yl)butanedioic acid is sourced from PubChem (CID 95004211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).