2-chloro-2-[(2R,3R)-2,3-dimethylcyclopropylidene]acetic acid

C7H9ClO2 — CID 130835086

IUPAC2-chloro-2-[(2R,3R)-2,3-dimethylcyclopropylidene]acetic acid
SMILESC[C@H]1C(=C(Cl)C(=O)O)[C@@H]1C
InChIInChI=1S/C7H9ClO2/c1-3-4(2)5(3)6(8)7(9)10/h3-4H,1-2H3,(H,9,10)/t3-,4-/m1/s1
InChIKeyYFRIEOQEYZPBID-QWWZWVQMSA-N
MW160.60 g/mol
LogP1.85
Rot. Bonds1

About 2-chloro-2-[(2R,3R)-2,3-dimethylcyclopropylidene]acetic acid

2-chloro-2-[(2R,3R)-2,3-dimethylcyclopropylidene]acetic acid (PubChem CID 130835086) has the molecular formula C7H9ClO2 and a molecular weight of 160.60 g/mol. Its IUPAC name is 2-chloro-2-[(2R,3R)-2,3-dimethylcyclopropylidene]acetic acid.

Molecular Properties

Compound Name2-chloro-2-[(2R,3R)-2,3-dimethylcyclopropylidene]acetic acid
PubChem CID130835086
Molecular FormulaC7H9ClO2
Molecular Weight160.60 g/mol
Exact Mass160.03
IUPAC Name2-chloro-2-[(2R,3R)-2,3-dimethylcyclopropylidene]acetic acid
SMILESC[C@H]1C(=C(Cl)C(=O)O)[C@@H]1C
InChIInChI=1S/C7H9ClO2/c1-3-4(2)5(3)6(8)7(9)10/h3-4H,1-2H3,(H,9,10)/t3-,4-/m1/s1
InChIKeyYFRIEOQEYZPBID-QWWZWVQMSA-N
XLogP1.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.60
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-chloro-2-[(2R,3R)-2,3-dimethylcyclopropylidene]acetic 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

(2R,4R)-4-methylazetidine-2-carboxylic acid
CID 138039816
(2S,4R,6R)-4,6-dimethylpiperidine-2-carboxylic acid
CID 124708734
carbonochloridic acid;methanol
CID 159093381
bis(carbonochloridic acid);ethane
CID 175169391
acetic acid;2-chloro-2-oxoacetic acid
CID 162320827
(4R,5R)-4,5-dimethyl-4,5-dihydro-1H-pyrazole-3-carbonyl chloride
CID 59287298
4-methylazetidine-2-carboxylic acid;1,4-xylene
CID 175179759
2-(4-methylcyclohexylidene)propanedioic acid
CID 13115253
trans-(1R,2R)-2-methylcyclopropane-1-carboxylic acid
CID 6995705
(2S)-2-methylcyclopropane-1-carboxylic acid
CID 70278837
(2S,4R)-azetidine-2,4-dicarboxylic acid
CID 2733517
4-methylpyrrolidine-2-carboxylic acid;hydrochloride
CID 71952985

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-[(2R,3R)-2,3-dimethylcyclopropylidene]acetic acid?
The IUPAC name of 2-chloro-2-[(2R,3R)-2,3-dimethylcyclopropylidene]acetic acid (CID 130835086) is 2-chloro-2-[(2R,3R)-2,3-dimethylcyclopropylidene]acetic acid.
What is the SMILES notation for 2-chloro-2-[(2R,3R)-2,3-dimethylcyclopropylidene]acetic acid?
The canonical SMILES for 2-chloro-2-[(2R,3R)-2,3-dimethylcyclopropylidene]acetic acid is C[C@H]1C(=C(Cl)C(=O)O)[C@@H]1C.
What is the InChIKey of 2-chloro-2-[(2R,3R)-2,3-dimethylcyclopropylidene]acetic acid?
The InChIKey is YFRIEOQEYZPBID-QWWZWVQMSA-N. The full InChI is InChI=1S/C7H9ClO2/c1-3-4(2)5(3)6(8)7(9)10/h3-4H,1-2H3,(H,9,10)/t3-,4-/m1/s1.
What are the key properties of 2-chloro-2-[(2R,3R)-2,3-dimethylcyclopropylidene]acetic acid?
2-chloro-2-[(2R,3R)-2,3-dimethylcyclopropylidene]acetic acid has a molecular weight of 160.60 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-[(2R,3R)-2,3-dimethylcyclopropylidene]acetic acid is sourced from PubChem (CID 130835086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).