6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid

C11H18N2O4 — CID 83679887

IUPAC6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
SMILESCC(C)(C)OC(=O)NC1(C(=O)O)C2CNCC21
InChIInChI=1S/C11H18N2O4/c1-10(2,3)17-9(16)13-11(8(14)15)6-4-12-5-7(6)11/h6-7,12H,4-5H2,1-3H3,(H,13,16)(H,14,15)
InChIKeyKGBSSHHZXSAWEJ-UHFFFAOYSA-N
MW242.27 g/mol
LogP0.18
Rot. Bonds2

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

6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid (PubChem CID 83679887) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid.

Molecular Properties

Compound Name6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
PubChem CID83679887
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
SMILESCC(C)(C)OC(=O)NC1(C(=O)O)C2CNCC21
InChIInChI=1S/C11H18N2O4/c1-10(2,3)17-9(16)13-11(8(14)15)6-4-12-5-7(6)11/h6-7,12H,4-5H2,1-3H3,(H,13,16)(H,14,15)
InChIKeyKGBSSHHZXSAWEJ-UHFFFAOYSA-N
XLogP0.18
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid with MolForge

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Related Compounds

tert-butyl N-[(3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]carbamate
CID 24728871
cis-(1S,2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid
CID 57348144
(1R,5R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxabicyclo[3.1.0]hexane-3-carboxylic acid
CID 98172538
tert-butyl N-[[(1R,5S)-6-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate
CID 170430375
tert-butyl N-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate
CID 11127248
(1R)-2-cyclopropyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid
CID 138111325
trans-(1R,2S)-2-cyclopropyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid
CID 20767946
tert-butyl N-[1-[(3R)-pyrrolidin-3-yl]cyclopropyl]carbamate;oxalic acid
CID 67340995
tert-butyl N-[[(3R,4R)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-3-yl]methyl]carbamate
CID 54508175
1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxocyclopropane-1-carboxylic acid
CID 67416997
tert-butyl N-(3-azabicyclo[4.1.0]heptan-6-yl)carbamate
CID 59776920
3-[(2-methylpropan-2-yl)oxycarbonylamino]-8-thiabicyclo[3.2.1]octane-3-carboxylic acid
CID 171936567

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid?
The IUPAC name of 6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid (CID 83679887) is 6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid.
What is the SMILES notation for 6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid?
The canonical SMILES for 6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid is CC(C)(C)OC(=O)NC1(C(=O)O)C2CNCC21.
What is the InChIKey of 6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid?
The InChIKey is KGBSSHHZXSAWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-10(2,3)17-9(16)13-11(8(14)15)6-4-12-5-7(6)11/h6-7,12H,4-5H2,1-3H3,(H,13,16)(H,14,15).
What are the key properties of 6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid?
6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid has a molecular weight of 242.27 g/mol, XLogP of 0.18, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid is sourced from PubChem (CID 83679887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).