(2R,3R)-2-hydroxy-2,3-dimethylpent-4-ynoic acid

C7H10O3 — CID 165346508

IUPAC(2R,3R)-2-hydroxy-2,3-dimethylpent-4-ynoic acid
SMILESC#C[C@@H](C)[C@@](C)(O)C(=O)O
InChIInChI=1S/C7H10O3/c1-4-5(2)7(3,10)6(8)9/h1,5,10H,2-3H3,(H,8,9)/t5-,7-/m1/s1
InChIKeyFTDBBOKJJRLQMB-IYSWYEEDSA-N
MW142.15 g/mol
LogP0.09
Rot. Bonds2

About (2R,3R)-2-hydroxy-2,3-dimethylpent-4-ynoic acid

(2R,3R)-2-hydroxy-2,3-dimethylpent-4-ynoic acid (PubChem CID 165346508) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is (2R,3R)-2-hydroxy-2,3-dimethylpent-4-ynoic acid.

Molecular Properties

Compound Name(2R,3R)-2-hydroxy-2,3-dimethylpent-4-ynoic acid
PubChem CID165346508
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name(2R,3R)-2-hydroxy-2,3-dimethylpent-4-ynoic acid
SMILESC#C[C@@H](C)[C@@](C)(O)C(=O)O
InChIInChI=1S/C7H10O3/c1-4-5(2)7(3,10)6(8)9/h1,5,10H,2-3H3,(H,8,9)/t5-,7-/m1/s1
InChIKeyFTDBBOKJJRLQMB-IYSWYEEDSA-N
XLogP0.09
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-but-3-yn-2-yl-2-methylpropanedioic acid
CID 87459391
2-but-3-yn-2-yl-2-methylbutanedioic acid
CID 88550616
(2R)-2-hydroxy-2,3-dimethylbutanedioic acid
CID 87312032
2-hydroxypropane-1,1,2-tricarboxylic acid
CID 15842075
2-amino-3-methylpent-4-ynoic acid
CID 554129
(2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-2-methylhexanoic acid
CID 173086648
(2R,3S)-2-hydroxy-2,3-dimethylpent-4-enoic acid
CID 13026554
acetic acid;3,4-dimethylpent-1-yn-3-ol
CID 71414562
(2R,3R)-2-hydroxy-2,3-dimethylpent-4-enoic acid
CID 13026555
2-bromo-2-hydroxypropanoic acid
CID 88707429
(2S)-2-hydroxy-2,3-dimethyl-4-methylidenepentanedioic acid
CID 89306236
3-fluoro-2-hydroxy-2-methylbutanedioic acid
CID 141001148

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-hydroxy-2,3-dimethylpent-4-ynoic acid?
The IUPAC name of (2R,3R)-2-hydroxy-2,3-dimethylpent-4-ynoic acid (CID 165346508) is (2R,3R)-2-hydroxy-2,3-dimethylpent-4-ynoic acid.
What is the SMILES notation for (2R,3R)-2-hydroxy-2,3-dimethylpent-4-ynoic acid?
The canonical SMILES for (2R,3R)-2-hydroxy-2,3-dimethylpent-4-ynoic acid is C#C[C@@H](C)[C@@](C)(O)C(=O)O.
What is the InChIKey of (2R,3R)-2-hydroxy-2,3-dimethylpent-4-ynoic acid?
The InChIKey is FTDBBOKJJRLQMB-IYSWYEEDSA-N. The full InChI is InChI=1S/C7H10O3/c1-4-5(2)7(3,10)6(8)9/h1,5,10H,2-3H3,(H,8,9)/t5-,7-/m1/s1.
What are the key properties of (2R,3R)-2-hydroxy-2,3-dimethylpent-4-ynoic acid?
(2R,3R)-2-hydroxy-2,3-dimethylpent-4-ynoic acid has a molecular weight of 142.15 g/mol, XLogP of 0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-hydroxy-2,3-dimethylpent-4-ynoic acid is sourced from PubChem (CID 165346508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).