1-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid

C12H19NO4 — CID 175904413

IUPAC1-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
SMILESCC(C)(C)OC(=O)C1NCC2C(C(=O)O)C12C
InChIInChI=1S/C12H19NO4/c1-11(2,3)17-10(16)8-12(4)6(5-13-8)7(12)9(14)15/h6-8,13H,5H2,1-4H3,(H,14,15)
InChIKeyAZGLPKHKLPPEFC-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.64
Rot. Bonds2

About 1-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid

1-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid (PubChem CID 175904413) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
PubChem CID175904413
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name1-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
SMILESCC(C)(C)OC(=O)C1NCC2C(C(=O)O)C12C
InChIInChI=1S/C12H19NO4/c1-11(2,3)17-10(16)8-12(4)6(5-13-8)7(12)9(14)15/h6-8,13H,5H2,1-4H3,(H,14,15)
InChIKeyAZGLPKHKLPPEFC-UHFFFAOYSA-N
XLogP0.64
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic 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

tert-butyl (2R)-3,3-dimethylaziridine-2-carboxylate
CID 124671307
cis-(1R,3S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropane-1-carboxylic acid
CID 13041627
tert-butyl (4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylate
CID 67403070
tert-butyl (3S)-2,2-dimethylthiomorpholine-3-carboxylate
CID 12985820
tert-butyl 3-hydroxy-3-methylpiperidine-2-carboxylate
CID 86601016
tert-butyl (3R)-2,6-diazaspiro[3.3]heptane-3-carboxylate
CID 98001465
5-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 67042420
tert-butyl 2-azaspiro[3.4]octane-3-carboxylate;hydrochloride
CID 146049305
tert-butyl 2,2-dimethyl-1,3-thiazolidine-5-carboxylate
CID 174516766
3-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 22956955
3,5-bis[(2-methylpropan-2-yl)oxycarbonyl]cyclohexane-1-carboxylic acid
CID 23443973
tert-butyl (5R)-3-azabicyclo[3.1.0]hexane-6-carboxylate
CID 91040516

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid?
The IUPAC name of 1-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid (CID 175904413) is 1-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid.
What is the SMILES notation for 1-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid?
The canonical SMILES for 1-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid is CC(C)(C)OC(=O)C1NCC2C(C(=O)O)C12C.
What is the InChIKey of 1-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid?
The InChIKey is AZGLPKHKLPPEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-11(2,3)17-10(16)8-12(4)6(5-13-8)7(12)9(14)15/h6-8,13H,5H2,1-4H3,(H,14,15).
What are the key properties of 1-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid?
1-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid is sourced from PubChem (CID 175904413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).