2-[(1R)-2-methylidenecyclopropyl]acetic acid

C6H8O2 — CID 11051608

IUPAC2-[(1R)-2-methylidenecyclopropyl]acetic acid
SMILESC=C1C[C@@H]1CC(=O)O
InChIInChI=1S/C6H8O2/c1-4-2-5(4)3-6(7)8/h5H,1-3H2,(H,7,8)/t5-/m1/s1
InChIKeyQJBXAEKEXKLLLZ-RXMQYKEDSA-N
MW112.13 g/mol
LogP1.04
Rot. Bonds2

About 2-[(1R)-2-methylidenecyclopropyl]acetic acid

2-[(1R)-2-methylidenecyclopropyl]acetic acid (PubChem CID 11051608) has the molecular formula C6H8O2 and a molecular weight of 112.13 g/mol. Its IUPAC name is 2-[(1R)-2-methylidenecyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[(1R)-2-methylidenecyclopropyl]acetic acid
PubChem CID11051608
Molecular FormulaC6H8O2
Molecular Weight112.13 g/mol
Exact Mass112.05
IUPAC Name2-[(1R)-2-methylidenecyclopropyl]acetic acid
SMILESC=C1C[C@@H]1CC(=O)O
InChIInChI=1S/C6H8O2/c1-4-2-5(4)3-6(7)8/h5H,1-3H2,(H,7,8)/t5-/m1/s1
InChIKeyQJBXAEKEXKLLLZ-RXMQYKEDSA-N
XLogP1.04
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Methylenecyclobutanecarboxylic acid
CID 27475
2-Methylenecyclopropaneacetic acid
CID 10214381
4-Methylpent-4-enoic acid
CID 5282648
2-Cyclopropylprop-2-enoic acid
CID 150877
2-Methylidenecyclopropane-1-carboxylic acid
CID 566633
3-Isopropyl-3-butenoic acid
CID 443528
2,4-Dimethylpent-4-enoic acid
CID 12216735
rac-(1R,2S)-2-ethenylcyclopropane-1-carboxylic acid
CID 12261402
(2S)-2,4-Dimethyl-4-pentenoic acid
CID 25058579
(2R)-2,4-dimethylpent-4-enoic acid
CID 59093560
rac-(1R,2R)-2-ethenylcyclopropane-1-carboxylic acid
CID 55300474
Cyclopropanecarboxylic acid, 2-ethenyl-
CID 10942379

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-2-methylidenecyclopropyl]acetic acid?
The IUPAC name of 2-[(1R)-2-methylidenecyclopropyl]acetic acid (CID 11051608) is 2-[(1R)-2-methylidenecyclopropyl]acetic acid.
What is the SMILES notation for 2-[(1R)-2-methylidenecyclopropyl]acetic acid?
The canonical SMILES for 2-[(1R)-2-methylidenecyclopropyl]acetic acid is C=C1C[C@@H]1CC(=O)O.
What is the InChIKey of 2-[(1R)-2-methylidenecyclopropyl]acetic acid?
The InChIKey is QJBXAEKEXKLLLZ-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H8O2/c1-4-2-5(4)3-6(7)8/h5H,1-3H2,(H,7,8)/t5-/m1/s1.
What are the key properties of 2-[(1R)-2-methylidenecyclopropyl]acetic acid?
2-[(1R)-2-methylidenecyclopropyl]acetic acid has a molecular weight of 112.13 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-2-methylidenecyclopropyl]acetic acid is sourced from PubChem (CID 11051608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).