ethyl N-(1-amino-2-methylpropan-2-yl)carbamate

C7H16N2O2 — CID 63194135

IUPACethyl N-(1-amino-2-methylpropan-2-yl)carbamate
SMILESCCOC(=O)NC(C)(C)CN
InChIInChI=1S/C7H16N2O2/c1-4-11-6(10)9-7(2,3)5-8/h4-5,8H2,1-3H3,(H,9,10)
InChIKeyQTMPKIMGTPOWFM-UHFFFAOYSA-N
MW160.22 g/mol
LogP0.47
Rot. Bonds3

About ethyl N-(1-amino-2-methylpropan-2-yl)carbamate

ethyl N-(1-amino-2-methylpropan-2-yl)carbamate (PubChem CID 63194135) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is ethyl N-(1-amino-2-methylpropan-2-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(1-amino-2-methylpropan-2-yl)carbamate
PubChem CID63194135
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Nameethyl N-(1-amino-2-methylpropan-2-yl)carbamate
SMILESCCOC(=O)NC(C)(C)CN
InChIInChI=1S/C7H16N2O2/c1-4-11-6(10)9-7(2,3)5-8/h4-5,8H2,1-3H3,(H,9,10)
InChIKeyQTMPKIMGTPOWFM-UHFFFAOYSA-N
XLogP0.47
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(1-amino-2-methylpropan-2-yl)carbamate;hydrochloride
CID 45072479
ethyl N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamate
CID 122544664
ethyl N-(3-amino-2,2-dimethylpropyl)carbamate
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ethyl 3-(tert-butylcarbamoyloxy)-2-methylpropanoate
CID 174901087
ethyl N-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)carbamate
CID 3573557
ethyl N-(4-chloro-2-methyl-3-oxobutan-2-yl)carbamate
CID 104701003
2-(ethoxycarbonylamino)-2-ethylbutanoic acid
CID 79806785
ethyl N-(1-bromo-3-methyl-2-oxopentan-3-yl)carbamate
CID 104701642
ethyl N-(5-bromo-2,3,3-trimethyl-4-oxopentan-2-yl)carbamate
CID 104701317
N-(1-amino-2-methylpropan-2-yl)-2,2,2-trifluoroacetamide
CID 63193771
N-(1-amino-2-methylpropan-2-yl)-2-ethoxycyclopropane-1-carboxamide
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ethyl N-hydroxycarbamate
CID 11510

Frequently Asked Questions

What is the IUPAC name of ethyl N-(1-amino-2-methylpropan-2-yl)carbamate?
The IUPAC name of ethyl N-(1-amino-2-methylpropan-2-yl)carbamate (CID 63194135) is ethyl N-(1-amino-2-methylpropan-2-yl)carbamate.
What is the SMILES notation for ethyl N-(1-amino-2-methylpropan-2-yl)carbamate?
The canonical SMILES for ethyl N-(1-amino-2-methylpropan-2-yl)carbamate is CCOC(=O)NC(C)(C)CN.
What is the InChIKey of ethyl N-(1-amino-2-methylpropan-2-yl)carbamate?
The InChIKey is QTMPKIMGTPOWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-4-11-6(10)9-7(2,3)5-8/h4-5,8H2,1-3H3,(H,9,10).
What are the key properties of ethyl N-(1-amino-2-methylpropan-2-yl)carbamate?
ethyl N-(1-amino-2-methylpropan-2-yl)carbamate has a molecular weight of 160.22 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(1-amino-2-methylpropan-2-yl)carbamate is sourced from PubChem (CID 63194135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).