1-(hydroxymethoxycarbonyl)cyclopropane-1-carboxylic acid

C6H8O5 — CID 151006493

IUPAC1-(hydroxymethoxycarbonyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)OCO)CC1
InChIInChI=1S/C6H8O5/c7-3-11-5(10)6(1-2-6)4(8)9/h7H,1-3H2,(H,8,9)
InChIKeyLVEQTVINDONFPN-UHFFFAOYSA-N
MW160.12 g/mol
LogP-0.66
Rot. Bonds3

About 1-(hydroxymethoxycarbonyl)cyclopropane-1-carboxylic acid

1-(hydroxymethoxycarbonyl)cyclopropane-1-carboxylic acid (PubChem CID 151006493) has the molecular formula C6H8O5 and a molecular weight of 160.12 g/mol. Its IUPAC name is 1-(hydroxymethoxycarbonyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(hydroxymethoxycarbonyl)cyclopropane-1-carboxylic acid
PubChem CID151006493
Molecular FormulaC6H8O5
Molecular Weight160.12 g/mol
Exact Mass160.04
IUPAC Name1-(hydroxymethoxycarbonyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)OCO)CC1
InChIInChI=1S/C6H8O5/c7-3-11-5(10)6(1-2-6)4(8)9/h7H,1-3H2,(H,8,9)
InChIKeyLVEQTVINDONFPN-UHFFFAOYSA-N
XLogP-0.66
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.12
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethoxycarbonyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(hydroxymethoxycarbonyl)cyclopropane-1-carboxylic acid (CID 151006493) is 1-(hydroxymethoxycarbonyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(hydroxymethoxycarbonyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(hydroxymethoxycarbonyl)cyclopropane-1-carboxylic acid is O=C(O)C1(C(=O)OCO)CC1.
What is the InChIKey of 1-(hydroxymethoxycarbonyl)cyclopropane-1-carboxylic acid?
The InChIKey is LVEQTVINDONFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O5/c7-3-11-5(10)6(1-2-6)4(8)9/h7H,1-3H2,(H,8,9).
What are the key properties of 1-(hydroxymethoxycarbonyl)cyclopropane-1-carboxylic acid?
1-(hydroxymethoxycarbonyl)cyclopropane-1-carboxylic acid has a molecular weight of 160.12 g/mol, XLogP of -0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethoxycarbonyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 151006493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).