2-[cyclobutyl-(1-deuterio-2-methylpropan-2-yl)oxycarbonylamino]acetic acid

C11H19NO4 — CID 156633495

IUPAC2-[cyclobutyl-(1-deuterio-2-methylpropan-2-yl)oxycarbonylamino]acetic acid
SMILES[2H]CC(C)(C)OC(=O)N(CC(=O)O)C1CCC1
InChIInChI=1S/C11H19NO4/c1-11(2,3)16-10(15)12(7-9(13)14)8-5-4-6-8/h8H,4-7H2,1-3H3,(H,13,14)/i1D
InChIKeyGFXHZLIWJBHHGR-MICDWDOJSA-N
MW230.28 g/mol
LogP1.86
Rot. Bonds3

About 2-[cyclobutyl-(1-deuterio-2-methylpropan-2-yl)oxycarbonylamino]acetic acid

2-[cyclobutyl-(1-deuterio-2-methylpropan-2-yl)oxycarbonylamino]acetic acid (PubChem CID 156633495) has the molecular formula C11H19NO4 and a molecular weight of 230.28 g/mol. Its IUPAC name is 2-[cyclobutyl-(1-deuterio-2-methylpropan-2-yl)oxycarbonylamino]acetic acid.

Molecular Properties

Compound Name2-[cyclobutyl-(1-deuterio-2-methylpropan-2-yl)oxycarbonylamino]acetic acid
PubChem CID156633495
Molecular FormulaC11H19NO4
Molecular Weight230.28 g/mol
Exact Mass230.14
IUPAC Name2-[cyclobutyl-(1-deuterio-2-methylpropan-2-yl)oxycarbonylamino]acetic acid
SMILES[2H]CC(C)(C)OC(=O)N(CC(=O)O)C1CCC1
InChIInChI=1S/C11H19NO4/c1-11(2,3)16-10(15)12(7-9(13)14)8-5-4-6-8/h8H,4-7H2,1-3H3,(H,13,14)/i1D
InChIKeyGFXHZLIWJBHHGR-MICDWDOJSA-N
XLogP1.86
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[cyclobutyl-(1-deuterio-2-methylpropan-2-yl)oxycarbonylamino]acetic 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

2-[cyclooctyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 22476048
2-[(2-methylcyclopropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 91184991
methyl 2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 67008317
tert-butyl N-cyclopentyl-N-(2-oxobut-3-ynyl)carbamate
CID 165471358
2-[(2-methylpropan-2-yl)oxycarbonyl-(trideuteriomethyl)amino]acetic acid
CID 121439864
2-[2-[[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrrolidin-1-yl]acetic acid
CID 66566450
1-[2-[cyclohexyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]azetidine-2-carboxylic acid
CID 22716025
tert-butyl N-cyclobutyl-N-(3-hydroxypropyl)carbamate
CID 22397314
tert-butyl N-cyclopropyl-N-(3-methoxy-2-oxopropyl)carbamate
CID 165465373
tert-butyl N,N-di(cyclobutyl)carbamate
CID 162343429
3-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylic acid
CID 67045293
1-[2-[cyclobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]cyclopropane-1-carboxylic acid
CID 84812701

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl-(1-deuterio-2-methylpropan-2-yl)oxycarbonylamino]acetic acid?
The IUPAC name of 2-[cyclobutyl-(1-deuterio-2-methylpropan-2-yl)oxycarbonylamino]acetic acid (CID 156633495) is 2-[cyclobutyl-(1-deuterio-2-methylpropan-2-yl)oxycarbonylamino]acetic acid.
What is the SMILES notation for 2-[cyclobutyl-(1-deuterio-2-methylpropan-2-yl)oxycarbonylamino]acetic acid?
The canonical SMILES for 2-[cyclobutyl-(1-deuterio-2-methylpropan-2-yl)oxycarbonylamino]acetic acid is [2H]CC(C)(C)OC(=O)N(CC(=O)O)C1CCC1.
What is the InChIKey of 2-[cyclobutyl-(1-deuterio-2-methylpropan-2-yl)oxycarbonylamino]acetic acid?
The InChIKey is GFXHZLIWJBHHGR-MICDWDOJSA-N. The full InChI is InChI=1S/C11H19NO4/c1-11(2,3)16-10(15)12(7-9(13)14)8-5-4-6-8/h8H,4-7H2,1-3H3,(H,13,14)/i1D.
What are the key properties of 2-[cyclobutyl-(1-deuterio-2-methylpropan-2-yl)oxycarbonylamino]acetic acid?
2-[cyclobutyl-(1-deuterio-2-methylpropan-2-yl)oxycarbonylamino]acetic acid has a molecular weight of 230.28 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl-(1-deuterio-2-methylpropan-2-yl)oxycarbonylamino]acetic acid is sourced from PubChem (CID 156633495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).