2-hydroxyethyl N-propan-2-ylcarbamate

C6H13NO3 — CID 71382722

IUPAC2-hydroxyethyl N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OCCO
InChIInChI=1S/C6H13NO3/c1-5(2)7-6(9)10-4-3-8/h5,8H,3-4H2,1-2H3,(H,7,9)
InChIKeyLHGHPKFQVWZZDJ-UHFFFAOYSA-N
MW147.17 g/mol
LogP0.11
Rot. Bonds3

About 2-hydroxyethyl N-propan-2-ylcarbamate

2-hydroxyethyl N-propan-2-ylcarbamate (PubChem CID 71382722) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is 2-hydroxyethyl N-propan-2-ylcarbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-propan-2-ylcarbamate
PubChem CID71382722
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name2-hydroxyethyl N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OCCO
InChIInChI=1S/C6H13NO3/c1-5(2)7-6(9)10-4-3-8/h5,8H,3-4H2,1-2H3,(H,7,9)
InChIKeyLHGHPKFQVWZZDJ-UHFFFAOYSA-N
XLogP0.11
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxyethyl N-(5-methylhexan-2-yl)carbamate
CID 79348697
2-hydroxyethyl N-[(1S)-1-cycloheptylethyl]carbamate
CID 81392829
2-hydroxyethyl N-(1-ethoxypropan-2-yl)carbamate
CID 79348986
methyl 2-(2-hydroxyethoxycarbonylamino)-3-methylpentanoate
CID 79345601
2-methylpropyl N-propan-2-ylcarbamate
CID 20815988
iodomethyl N-propan-2-ylcarbamate
CID 86715162
ethyl N-propan-2-ylcarbamate;hydrochloride
CID 23364233
2-hydroxyethyl N-[(1R)-1-(4-methylphenyl)ethyl]carbamate
CID 81357175
2-hydroxyethyl N-[(1R)-1-(4-chlorophenyl)ethyl]carbamate
CID 81355345
[2-hydroxy-3-(propan-2-ylcarbamoyloxy)propyl] N-methylcarbamate
CID 88940708
2-hydroxyethyl N-(3-methyl-2-propan-2-ylbutyl)carbamate
CID 102908393
2-phenylethyl N-propan-2-ylcarbamate
CID 23548887

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-propan-2-ylcarbamate?
The IUPAC name of 2-hydroxyethyl N-propan-2-ylcarbamate (CID 71382722) is 2-hydroxyethyl N-propan-2-ylcarbamate.
What is the SMILES notation for 2-hydroxyethyl N-propan-2-ylcarbamate?
The canonical SMILES for 2-hydroxyethyl N-propan-2-ylcarbamate is CC(C)NC(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl N-propan-2-ylcarbamate?
The InChIKey is LHGHPKFQVWZZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-5(2)7-6(9)10-4-3-8/h5,8H,3-4H2,1-2H3,(H,7,9).
What are the key properties of 2-hydroxyethyl N-propan-2-ylcarbamate?
2-hydroxyethyl N-propan-2-ylcarbamate has a molecular weight of 147.17 g/mol, XLogP of 0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-propan-2-ylcarbamate is sourced from PubChem (CID 71382722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).