tert-butyl 2-(aminomethoxycarbonyloxy)-2-methylpropanoate

C10H19NO5 — CID 155065541

IUPACtert-butyl 2-(aminomethoxycarbonyloxy)-2-methylpropanoate
SMILESCC(C)(C)OC(=O)C(C)(C)OC(=O)OCN
InChIInChI=1S/C10H19NO5/c1-9(2,3)15-7(12)10(4,5)16-8(13)14-6-11/h6,11H2,1-5H3
InChIKeyDHQKCLGXFYOGDD-UHFFFAOYSA-N
MW233.26 g/mol
LogP1.18
Rot. Bonds3

About tert-butyl 2-(aminomethoxycarbonyloxy)-2-methylpropanoate

tert-butyl 2-(aminomethoxycarbonyloxy)-2-methylpropanoate (PubChem CID 155065541) has the molecular formula C10H19NO5 and a molecular weight of 233.26 g/mol. Its IUPAC name is tert-butyl 2-(aminomethoxycarbonyloxy)-2-methylpropanoate.

Molecular Properties

Compound Nametert-butyl 2-(aminomethoxycarbonyloxy)-2-methylpropanoate
PubChem CID155065541
Molecular FormulaC10H19NO5
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Nametert-butyl 2-(aminomethoxycarbonyloxy)-2-methylpropanoate
SMILESCC(C)(C)OC(=O)C(C)(C)OC(=O)OCN
InChIInChI=1S/C10H19NO5/c1-9(2,3)15-7(12)10(4,5)16-8(13)14-6-11/h6,11H2,1-5H3
InChIKeyDHQKCLGXFYOGDD-UHFFFAOYSA-N
XLogP1.18
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze tert-butyl 2-(aminomethoxycarbonyloxy)-2-methylpropanoate 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 (2S)-2,5-diamino-2-methylpentanoate
CID 54077962
[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] 3-methylbut-3-enoate
CID 171736291
tert-butyl (2R)-2-(aminomethyl)-2-methylbutanoate
CID 124571858
tert-butyl 2-hydroxy-2-(hydroxymethyl)pentanoate
CID 150749024
(2S)-2-(aminomethyl)-2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 54139395
ditert-butyl 2-amino-2-(9-aminononyl)propanedioate
CID 91092434
1-O-bromo 3-O-tert-butyl 2-(2-aminoethyl)-2-methylpropanedioate
CID 174723568
methyl 2-methyl-2-prop-2-ynoxycarbonyloxypropanoate
CID 88550304
[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] pent-3-enoate
CID 171736281
tert-butyl (2R)-2-amino-2-hydroxypropanoate
CID 88686968
tert-butyl (2S)-2-(aminomethyl)-2-methyl-3-oxopropanoate
CID 174505401
tert-butyl (2S)-2-amino-2-hydroxypentanoate
CID 172785158

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(aminomethoxycarbonyloxy)-2-methylpropanoate?
The IUPAC name of tert-butyl 2-(aminomethoxycarbonyloxy)-2-methylpropanoate (CID 155065541) is tert-butyl 2-(aminomethoxycarbonyloxy)-2-methylpropanoate.
What is the SMILES notation for tert-butyl 2-(aminomethoxycarbonyloxy)-2-methylpropanoate?
The canonical SMILES for tert-butyl 2-(aminomethoxycarbonyloxy)-2-methylpropanoate is CC(C)(C)OC(=O)C(C)(C)OC(=O)OCN.
What is the InChIKey of tert-butyl 2-(aminomethoxycarbonyloxy)-2-methylpropanoate?
The InChIKey is DHQKCLGXFYOGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5/c1-9(2,3)15-7(12)10(4,5)16-8(13)14-6-11/h6,11H2,1-5H3.
What are the key properties of tert-butyl 2-(aminomethoxycarbonyloxy)-2-methylpropanoate?
tert-butyl 2-(aminomethoxycarbonyloxy)-2-methylpropanoate has a molecular weight of 233.26 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(aminomethoxycarbonyloxy)-2-methylpropanoate is sourced from PubChem (CID 155065541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).