(2R)-2-hydroxyheptanoate

C7H13O3- — CID 7054559

IUPAC(2R)-2-hydroxyheptanoate
SMILESCCCCC[C@@H](O)C(=O)[O-]
InChIInChI=1S/C7H14O3/c1-2-3-4-5-6(8)7(9)10/h6,8H,2-5H2,1H3,(H,9,10)/p-1/t6-/m1/s1
InChIKeyRGMMREBHCYXQMA-ZCFIWIBFSA-M
MW145.18 g/mol
LogP-0.32
Rot. Bonds5

About (2R)-2-hydroxyheptanoate

(2R)-2-hydroxyheptanoate (PubChem CID 7054559) has the molecular formula C7H13O3- and a molecular weight of 145.18 g/mol. Its IUPAC name is (2R)-2-hydroxyheptanoate.

Molecular Properties

Compound Name(2R)-2-hydroxyheptanoate
PubChem CID7054559
Molecular FormulaC7H13O3-
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC Name(2R)-2-hydroxyheptanoate
SMILESCCCCC[C@@H](O)C(=O)[O-]
InChIInChI=1S/C7H14O3/c1-2-3-4-5-6(8)7(9)10/h6,8H,2-5H2,1H3,(H,9,10)/p-1/t6-/m1/s1
InChIKeyRGMMREBHCYXQMA-ZCFIWIBFSA-M
XLogP-0.32
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R)-2-hydroxyheptanoate 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

(2S)-2-hydroxyoctadecanoate
CID 21145041
2-hydroxydocosanoate
CID 22361325
azanium 2-hydroxydodecanoate
CID 139935066
zinc bis(2-hydroxyhexadecanoate)
CID 159204851
strontium bis(2-hydroxytetradecanoate)
CID 19990057
magnesium bis(2-hydroxyhexanoate)
CID 139844837
bis(butan-1-olate);bis(2-hydroxydecanoate);titanium(4+)
CID 173116616
sodium (Z)-2-hydroxyicos-11-enoate
CID 141048065
(12Z,15Z,18Z,21Z,24Z)-2-hydroxytriaconta-12,15,18,21,24-pentaenoate
CID 86583452
hexane-1,1-diol carbonate
CID 22286932
2-hydroxyheptanoic acid
CID 2750949
sodium 5-heptyl-2-hydroxy-4-oxotetradecanoate
CID 88635824

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxyheptanoate?
The IUPAC name of (2R)-2-hydroxyheptanoate (CID 7054559) is (2R)-2-hydroxyheptanoate.
What is the SMILES notation for (2R)-2-hydroxyheptanoate?
The canonical SMILES for (2R)-2-hydroxyheptanoate is CCCCC[C@@H](O)C(=O)[O-].
What is the InChIKey of (2R)-2-hydroxyheptanoate?
The InChIKey is RGMMREBHCYXQMA-ZCFIWIBFSA-M. The full InChI is InChI=1S/C7H14O3/c1-2-3-4-5-6(8)7(9)10/h6,8H,2-5H2,1H3,(H,9,10)/p-1/t6-/m1/s1.
What are the key properties of (2R)-2-hydroxyheptanoate?
(2R)-2-hydroxyheptanoate has a molecular weight of 145.18 g/mol, XLogP of -0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxyheptanoate is sourced from PubChem (CID 7054559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).