4-[bicyclo[3.1.0]hexane-6-carbonyl(methyl)amino]butanoic acid

C12H19NO3 — CID 81456744

IUPAC4-[bicyclo[3.1.0]hexane-6-carbonyl(methyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)C1C2CCCC21
InChIInChI=1S/C12H19NO3/c1-13(7-3-6-10(14)15)12(16)11-8-4-2-5-9(8)11/h8-9,11H,2-7H2,1H3,(H,14,15)
InChIKeyBGHBDYSHFUAKMT-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.36
Rot. Bonds5

About 4-[bicyclo[3.1.0]hexane-6-carbonyl(methyl)amino]butanoic acid

4-[bicyclo[3.1.0]hexane-6-carbonyl(methyl)amino]butanoic acid (PubChem CID 81456744) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-[bicyclo[3.1.0]hexane-6-carbonyl(methyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[bicyclo[3.1.0]hexane-6-carbonyl(methyl)amino]butanoic acid
PubChem CID81456744
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name4-[bicyclo[3.1.0]hexane-6-carbonyl(methyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)C1C2CCCC21
InChIInChI=1S/C12H19NO3/c1-13(7-3-6-10(14)15)12(16)11-8-4-2-5-9(8)11/h8-9,11H,2-7H2,1H3,(H,14,15)
InChIKeyBGHBDYSHFUAKMT-UHFFFAOYSA-N
XLogP1.36
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-[bicyclo[3.1.0]hexane-6-carbonyl(methyl)amino]butanoate
CID 79600655
N-(3-aminopropyl)-N-methylbicyclo[4.1.0]heptane-7-carboxamide
CID 81483380
N-(5-aminopentyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide
CID 107206663
4-[methyl-(2-methylcyclopentanecarbonyl)amino]butanoic acid
CID 107175150
4-[(2-aminocyclopentanecarbonyl)-methylamino]butanoic acid
CID 64823823
4-[adamantane-2-carbonyl(methyl)amino]butanoic acid
CID 78980362
4-[methyl(thiane-2-carbonyl)amino]butanoic acid
CID 80594247
4-[(2,6-dimethylpiperidine-1-carbonyl)-methylamino]butanoic acid
CID 43329817
4-[methyl-[(2R)-oxolane-2-carbonyl]amino]butanoic acid
CID 104855520
ethyl 3-[bicyclo[4.1.0]heptane-7-carbonyl(methyl)amino]propanoate
CID 79209644
4-[(3-aminocyclopentanecarbonyl)-methylamino]butanoic acid
CID 66009609
N-(3-amino-4-methylpentyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
CID 119658274

Frequently Asked Questions

What is the IUPAC name of 4-[bicyclo[3.1.0]hexane-6-carbonyl(methyl)amino]butanoic acid?
The IUPAC name of 4-[bicyclo[3.1.0]hexane-6-carbonyl(methyl)amino]butanoic acid (CID 81456744) is 4-[bicyclo[3.1.0]hexane-6-carbonyl(methyl)amino]butanoic acid.
What is the SMILES notation for 4-[bicyclo[3.1.0]hexane-6-carbonyl(methyl)amino]butanoic acid?
The canonical SMILES for 4-[bicyclo[3.1.0]hexane-6-carbonyl(methyl)amino]butanoic acid is CN(CCCC(=O)O)C(=O)C1C2CCCC21.
What is the InChIKey of 4-[bicyclo[3.1.0]hexane-6-carbonyl(methyl)amino]butanoic acid?
The InChIKey is BGHBDYSHFUAKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-13(7-3-6-10(14)15)12(16)11-8-4-2-5-9(8)11/h8-9,11H,2-7H2,1H3,(H,14,15).
What are the key properties of 4-[bicyclo[3.1.0]hexane-6-carbonyl(methyl)amino]butanoic acid?
4-[bicyclo[3.1.0]hexane-6-carbonyl(methyl)amino]butanoic acid has a molecular weight of 225.29 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bicyclo[3.1.0]hexane-6-carbonyl(methyl)amino]butanoic acid is sourced from PubChem (CID 81456744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).