ethyl N-propan-2-ylcarbamate;hydrochloride

C6H14ClNO2 — CID 23364233

IUPACethyl N-propan-2-ylcarbamate;hydrochloride
SMILESCCOC(=O)NC(C)C.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-4-9-6(8)7-5(2)3;/h5H,4H2,1-3H3,(H,7,8);1H
InChIKeyNVVDXWQJDVQYPP-UHFFFAOYSA-N
MW167.64 g/mol
LogP1.56
Rot. Bonds2

About ethyl N-propan-2-ylcarbamate;hydrochloride

ethyl N-propan-2-ylcarbamate;hydrochloride (PubChem CID 23364233) has the molecular formula C6H14ClNO2 and a molecular weight of 167.64 g/mol. Its IUPAC name is ethyl N-propan-2-ylcarbamate;hydrochloride.

Molecular Properties

Compound Nameethyl N-propan-2-ylcarbamate;hydrochloride
PubChem CID23364233
Molecular FormulaC6H14ClNO2
Molecular Weight167.64 g/mol
Exact Mass167.07
IUPAC Nameethyl N-propan-2-ylcarbamate;hydrochloride
SMILESCCOC(=O)NC(C)C.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-4-9-6(8)7-5(2)3;/h5H,4H2,1-3H3,(H,7,8);1H
InChIKeyNVVDXWQJDVQYPP-UHFFFAOYSA-N
XLogP1.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl N-propan-2-ylcarbamate;propan-2-yl N-propan-2-ylcarbamate
CID 167448544
ethyl N-propan-2-ylcarbamate;tetrabutylazanium
CID 174855037
ethyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate
CID 130166517
ethyl N-[(2S)-3-oxobutan-2-yl]carbamate
CID 15726645
2-methylpropyl N-propan-2-ylcarbamate
CID 20815988
ethyl 2-oxo-2-(propan-2-ylamino)acetate
CID 5001766
iodomethyl N-propan-2-ylcarbamate
CID 86715162
ethyl N-(1-bromopropan-2-yl)carbamate
CID 174248965
2-methylbutyl N-propan-2-ylcarbamate
CID 89228624
2-hydroxyethyl N-propan-2-ylcarbamate
CID 71382722
ethyl N-(1-hydroxypropyl)carbamate
CID 87232302
ethyl N-but-3-en-2-ylcarbamate
CID 55287045

Frequently Asked Questions

What is the IUPAC name of ethyl N-propan-2-ylcarbamate;hydrochloride?
The IUPAC name of ethyl N-propan-2-ylcarbamate;hydrochloride (CID 23364233) is ethyl N-propan-2-ylcarbamate;hydrochloride.
What is the SMILES notation for ethyl N-propan-2-ylcarbamate;hydrochloride?
The canonical SMILES for ethyl N-propan-2-ylcarbamate;hydrochloride is CCOC(=O)NC(C)C.Cl.
What is the InChIKey of ethyl N-propan-2-ylcarbamate;hydrochloride?
The InChIKey is NVVDXWQJDVQYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.ClH/c1-4-9-6(8)7-5(2)3;/h5H,4H2,1-3H3,(H,7,8);1H.
What are the key properties of ethyl N-propan-2-ylcarbamate;hydrochloride?
ethyl N-propan-2-ylcarbamate;hydrochloride has a molecular weight of 167.64 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-propan-2-ylcarbamate;hydrochloride is sourced from PubChem (CID 23364233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).