2-(methylaminomethoxycarbonyl)bicyclo[3.1.0]hexane-6-carboxylic acid

C10H15NO4 — CID 142261596

IUPAC2-(methylaminomethoxycarbonyl)bicyclo[3.1.0]hexane-6-carboxylic acid
SMILESCNCOC(=O)C1CCC2C(C(=O)O)C12
InChIInChI=1S/C10H15NO4/c1-11-4-15-10(14)6-3-2-5-7(6)8(5)9(12)13/h5-8,11H,2-4H2,1H3,(H,12,13)
InChIKeyDVZWIXLIIOCHMW-UHFFFAOYSA-N
MW213.23 g/mol
LogP0.06
Rot. Bonds4

About 2-(methylaminomethoxycarbonyl)bicyclo[3.1.0]hexane-6-carboxylic acid

2-(methylaminomethoxycarbonyl)bicyclo[3.1.0]hexane-6-carboxylic acid (PubChem CID 142261596) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 2-(methylaminomethoxycarbonyl)bicyclo[3.1.0]hexane-6-carboxylic acid.

Molecular Properties

Compound Name2-(methylaminomethoxycarbonyl)bicyclo[3.1.0]hexane-6-carboxylic acid
PubChem CID142261596
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name2-(methylaminomethoxycarbonyl)bicyclo[3.1.0]hexane-6-carboxylic acid
SMILESCNCOC(=O)C1CCC2C(C(=O)O)C12
InChIInChI=1S/C10H15NO4/c1-11-4-15-10(14)6-3-2-5-7(6)8(5)9(12)13/h5-8,11H,2-4H2,1H3,(H,12,13)
InChIKeyDVZWIXLIIOCHMW-UHFFFAOYSA-N
XLogP0.06
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-ethoxycarbonylbicyclo[3.1.0]hexane-2-carboxylic acid
CID 121455865
dibenzyl bicyclo[3.1.0]hexane-2,6-dicarboxylate
CID 141428986
methyl (1R,5R,6S)-6-aminobicyclo[3.1.0]hexane-2-carboxylate
CID 84650185
methylaminomethyl oxane-4-carboxylate;hydrobromide
CID 175162839
(1R,2S,5S,6R)-2-aminobicyclo[3.1.0]hexane-6-carboxylic acid
CID 170915271
2-methoxycarbonylbicyclo[2.2.1]heptane-7-carboxylic acid
CID 564809
2-ethoxycarbonylcyclobutane-1-carboxylic acid
CID 19889622
bis(naphthalene-1-carbonyloxymethyl) (1R,5R,6S)-bicyclo[3.1.0]hexane-2,6-dicarboxylate
CID 142247110
ethyl tricyclo[4.2.2.02,5]decane-7-carboxylate
CID 162434587
ethyl (1S,6S,7R)-tricyclo[4.2.2.02,5]decane-7-carboxylate
CID 166941479
(2S,6S)-tricyclo[4.2.1.12,5]decane-9,10-dicarboxylic acid
CID 134081589
(1R,4S)-bicyclo[2.1.0]pentane-5-carboxylic acid
CID 55300069

Frequently Asked Questions

What is the IUPAC name of 2-(methylaminomethoxycarbonyl)bicyclo[3.1.0]hexane-6-carboxylic acid?
The IUPAC name of 2-(methylaminomethoxycarbonyl)bicyclo[3.1.0]hexane-6-carboxylic acid (CID 142261596) is 2-(methylaminomethoxycarbonyl)bicyclo[3.1.0]hexane-6-carboxylic acid.
What is the SMILES notation for 2-(methylaminomethoxycarbonyl)bicyclo[3.1.0]hexane-6-carboxylic acid?
The canonical SMILES for 2-(methylaminomethoxycarbonyl)bicyclo[3.1.0]hexane-6-carboxylic acid is CNCOC(=O)C1CCC2C(C(=O)O)C12.
What is the InChIKey of 2-(methylaminomethoxycarbonyl)bicyclo[3.1.0]hexane-6-carboxylic acid?
The InChIKey is DVZWIXLIIOCHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-11-4-15-10(14)6-3-2-5-7(6)8(5)9(12)13/h5-8,11H,2-4H2,1H3,(H,12,13).
What are the key properties of 2-(methylaminomethoxycarbonyl)bicyclo[3.1.0]hexane-6-carboxylic acid?
2-(methylaminomethoxycarbonyl)bicyclo[3.1.0]hexane-6-carboxylic acid has a molecular weight of 213.23 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylaminomethoxycarbonyl)bicyclo[3.1.0]hexane-6-carboxylic acid is sourced from PubChem (CID 142261596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).