(2-amino-2-methylbutyl) methyl carbonate

C7H15NO3 — CID 79336943

IUPAC(2-amino-2-methylbutyl) methyl carbonate
SMILESCCC(C)(N)COC(=O)OC
InChIInChI=1S/C7H15NO3/c1-4-7(2,8)5-11-6(9)10-3/h4-5,8H2,1-3H3
InChIKeyWHDJHOSWZVYOQW-UHFFFAOYSA-N
MW161.20 g/mol
LogP0.90
Rot. Bonds3

About (2-amino-2-methylbutyl) methyl carbonate

(2-amino-2-methylbutyl) methyl carbonate (PubChem CID 79336943) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is (2-amino-2-methylbutyl) methyl carbonate.

Molecular Properties

Compound Name(2-amino-2-methylbutyl) methyl carbonate
PubChem CID79336943
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name(2-amino-2-methylbutyl) methyl carbonate
SMILESCCC(C)(N)COC(=O)OC
InChIInChI=1S/C7H15NO3/c1-4-7(2,8)5-11-6(9)10-3/h4-5,8H2,1-3H3
InChIKeyWHDJHOSWZVYOQW-UHFFFAOYSA-N
XLogP0.90
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-methoxycarbonyloxy-2-(methoxycarbonyloxymethyl)-2-methylpropyl] methyl carbonate
CID 118490954
(2-amino-2-methylbutyl) phosphanylformate
CID 163788820
(2-amino-2-methylbutyl) N-ethylcarbamate
CID 79337657
(2-amino-2-methylbutyl) N,N-dimethylcarbamate
CID 79337457
CID 175269376
CID 175269376
2-(2-amino-2-methylbutoxy)-N-pentan-2-ylacetamide
CID 64574230
(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-8-methoxycarbonyloxyoctyl) methyl carbonate
CID 122607499
ethanol;ethyl methyl carbonate
CID 161101393
diethyl carbonate;dimethyl carbonate;ethyl methyl carbonate
CID 87546918
2-amino-3-methoxy-N-(3-methylpentan-3-yl)propanamide
CID 106328510
2-(2-amino-2-methylbutoxy)-N-cyclopropylacetamide
CID 64572744
2-(2-amino-2-methylbutoxy)-1-morpholin-4-ylpropan-1-one
CID 64572524

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-methylbutyl) methyl carbonate?
The IUPAC name of (2-amino-2-methylbutyl) methyl carbonate (CID 79336943) is (2-amino-2-methylbutyl) methyl carbonate.
What is the SMILES notation for (2-amino-2-methylbutyl) methyl carbonate?
The canonical SMILES for (2-amino-2-methylbutyl) methyl carbonate is CCC(C)(N)COC(=O)OC.
What is the InChIKey of (2-amino-2-methylbutyl) methyl carbonate?
The InChIKey is WHDJHOSWZVYOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-4-7(2,8)5-11-6(9)10-3/h4-5,8H2,1-3H3.
What are the key properties of (2-amino-2-methylbutyl) methyl carbonate?
(2-amino-2-methylbutyl) methyl carbonate has a molecular weight of 161.20 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-methylbutyl) methyl carbonate is sourced from PubChem (CID 79336943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).