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

C11H17NO4 — CID 141383092

IUPAC2-[(2-methylpropan-2-yl)oxycarbonyl]-1-azabicyclo[3.1.0]hexane-3-carboxylic acid
SMILESCC(C)(C)OC(=O)C1C(C(=O)O)CC2CN21
InChIInChI=1S/C11H17NO4/c1-11(2,3)16-10(15)8-7(9(13)14)4-6-5-12(6)8/h6-8H,4-5H2,1-3H3,(H,13,14)
InChIKeyONYIRYMQOPOMOZ-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.49
Rot. Bonds2

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

2-[(2-methylpropan-2-yl)oxycarbonyl]-1-azabicyclo[3.1.0]hexane-3-carboxylic acid (PubChem CID 141383092) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxycarbonyl]-1-azabicyclo[3.1.0]hexane-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxycarbonyl]-1-azabicyclo[3.1.0]hexane-3-carboxylic acid
PubChem CID141383092
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name2-[(2-methylpropan-2-yl)oxycarbonyl]-1-azabicyclo[3.1.0]hexane-3-carboxylic acid
SMILESCC(C)(C)OC(=O)C1C(C(=O)O)CC2CN21
InChIInChI=1S/C11H17NO4/c1-11(2,3)16-10(15)8-7(9(13)14)4-6-5-12(6)8/h6-8H,4-5H2,1-3H3,(H,13,14)
InChIKeyONYIRYMQOPOMOZ-UHFFFAOYSA-N
XLogP0.49
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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

cis-(1R,4S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid
CID 118566012
trans-(1R,2R)-4-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1,2-dicarboxylic acid
CID 168800648
3,5-bis[(2-methylpropan-2-yl)oxycarbonyl]cyclohexane-1-carboxylic acid
CID 23443973
ditert-butyl (1R,3S,4S,6R)-7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate
CID 10924504
4-[(2-methylpropan-2-yl)oxycarbonyl]thiolane-3-carboxylic acid
CID 18953003
cis-(1R,4S)-4-(methoxymethyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid
CID 146437976
tert-butyl 5-methoxy-2-methylcyclohexane-1-carboxylate
CID 138719311
tert-butyl 1-azatricyclo[3.3.1.13,7]decane-2-carboxylate
CID 141371401
(4S)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 66848111
tert-butyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid
CID 90901644
ethane;2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid
CID 178026408
(2S,3S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid
CID 169449252

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonyl]-1-azabicyclo[3.1.0]hexane-3-carboxylic acid?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonyl]-1-azabicyclo[3.1.0]hexane-3-carboxylic acid (CID 141383092) is 2-[(2-methylpropan-2-yl)oxycarbonyl]-1-azabicyclo[3.1.0]hexane-3-carboxylic acid.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxycarbonyl]-1-azabicyclo[3.1.0]hexane-3-carboxylic acid?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxycarbonyl]-1-azabicyclo[3.1.0]hexane-3-carboxylic acid is CC(C)(C)OC(=O)C1C(C(=O)O)CC2CN21.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxycarbonyl]-1-azabicyclo[3.1.0]hexane-3-carboxylic acid?
The InChIKey is ONYIRYMQOPOMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-11(2,3)16-10(15)8-7(9(13)14)4-6-5-12(6)8/h6-8H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 2-[(2-methylpropan-2-yl)oxycarbonyl]-1-azabicyclo[3.1.0]hexane-3-carboxylic acid?
2-[(2-methylpropan-2-yl)oxycarbonyl]-1-azabicyclo[3.1.0]hexane-3-carboxylic acid has a molecular weight of 227.26 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxycarbonyl]-1-azabicyclo[3.1.0]hexane-3-carboxylic acid is sourced from PubChem (CID 141383092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).