ethyl N-(2,2-dihydroxyethyl)carbamate

C5H11NO4 — CID 18954626

IUPACethyl N-(2,2-dihydroxyethyl)carbamate
SMILESCCOC(=O)NCC(O)O
InChIInChI=1S/C5H11NO4/c1-2-10-5(9)6-3-4(7)8/h4,7-8H,2-3H2,1H3,(H,6,9)
InChIKeyIGOVRXVCXZAQST-UHFFFAOYSA-N
MW149.15 g/mol
LogP-0.96
Rot. Bonds3

About ethyl N-(2,2-dihydroxyethyl)carbamate

ethyl N-(2,2-dihydroxyethyl)carbamate (PubChem CID 18954626) has the molecular formula C5H11NO4 and a molecular weight of 149.15 g/mol. Its IUPAC name is ethyl N-(2,2-dihydroxyethyl)carbamate.

Molecular Properties

Compound Nameethyl N-(2,2-dihydroxyethyl)carbamate
PubChem CID18954626
Molecular FormulaC5H11NO4
Molecular Weight149.15 g/mol
Exact Mass149.07
IUPAC Nameethyl N-(2,2-dihydroxyethyl)carbamate
SMILESCCOC(=O)NCC(O)O
InChIInChI=1S/C5H11NO4/c1-2-10-5(9)6-3-4(7)8/h4,7-8H,2-3H2,1H3,(H,6,9)
InChIKeyIGOVRXVCXZAQST-UHFFFAOYSA-N
XLogP-0.96
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Carbamic acid, N-(2-hydroxyethyl)-, 2-hydroxyethyl ester
CID 82019
tert-butyl N-(2-hydroxyethyl)carbamate
CID 2733206
ethyl N-(2-hydroxyethyl)carbamate
CID 223805
methyl N-(2-hydroxyethyl)carbamate
CID 12701621
Carbamic acid, N-(2-hydroxyethyl)-, compd. with 2-aminoethanol (1:1)
CID 88492628
Propan-2-yl hydrogen (2-hydroxyethyl)carbonimidate
CID 238168
Ethyl (1-hydroxypropan-2-yl)carbamate
CID 12632741
ethyl N-[(2S)-1-hydroxypropan-2-yl]carbamate
CID 12632742
ethyl N-[(2R)-1-hydroxypropan-2-yl]carbamate
CID 55303613
Propyl hydrogen (2-hydroxyethyl)carbonimidate
CID 244658
Ethyl 2,2-dimethoxyethylcarbamate
CID 10921057
beta-Hydroxypropyl urethane
CID 12142619

Frequently Asked Questions

What is the IUPAC name of ethyl N-(2,2-dihydroxyethyl)carbamate?
The IUPAC name of ethyl N-(2,2-dihydroxyethyl)carbamate (CID 18954626) is ethyl N-(2,2-dihydroxyethyl)carbamate.
What is the SMILES notation for ethyl N-(2,2-dihydroxyethyl)carbamate?
The canonical SMILES for ethyl N-(2,2-dihydroxyethyl)carbamate is CCOC(=O)NCC(O)O.
What is the InChIKey of ethyl N-(2,2-dihydroxyethyl)carbamate?
The InChIKey is IGOVRXVCXZAQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO4/c1-2-10-5(9)6-3-4(7)8/h4,7-8H,2-3H2,1H3,(H,6,9).
What are the key properties of ethyl N-(2,2-dihydroxyethyl)carbamate?
ethyl N-(2,2-dihydroxyethyl)carbamate has a molecular weight of 149.15 g/mol, XLogP of -0.96, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2,2-dihydroxyethyl)carbamate is sourced from PubChem (CID 18954626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).