bis(2-hydroxyethyl)carbamic acid

C5H11NO4 — CID 15795359

IUPACbis(2-hydroxyethyl)carbamic acid
SMILESO=C(O)N(CCO)CCO
InChIInChI=1S/C5H11NO4/c7-3-1-6(2-4-8)5(9)10/h7-8H,1-4H2,(H,9,10)
InChIKeyPZFCKLKBGCAOPJ-UHFFFAOYSA-N
MW149.15 g/mol
LogP-1.05
Rot. Bonds4

About bis(2-hydroxyethyl)carbamic acid

bis(2-hydroxyethyl)carbamic acid (PubChem CID 15795359) has the molecular formula C5H11NO4 and a molecular weight of 149.15 g/mol. Its IUPAC name is bis(2-hydroxyethyl)carbamic acid.

Molecular Properties

Compound Namebis(2-hydroxyethyl)carbamic acid
PubChem CID15795359
Molecular FormulaC5H11NO4
Molecular Weight149.15 g/mol
Exact Mass149.07
IUPAC Namebis(2-hydroxyethyl)carbamic acid
SMILESO=C(O)N(CCO)CCO
InChIInChI=1S/C5H11NO4/c7-3-1-6(2-4-8)5(9)10/h7-8H,1-4H2,(H,9,10)
InChIKeyPZFCKLKBGCAOPJ-UHFFFAOYSA-N
XLogP-1.05
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Choline bicarbonate
CID 6552
N,N-Bis(2-hydroxyethyl)formamide
CID 91333
ethyl N-(2-hydroxyethyl)-N-methylcarbamate
CID 19370355
methyl N-(2-hydroxyethyl)-N-methylcarbamate
CID 568300
Triethanolamine carbonate
CID 12239069
2-Fluoroethyl(2-hydroxyethyl)carbamic acid
CID 87645973
3-Fluoropropyl(2-hydroxyethyl)carbamic acid
CID 134211586
2-Hydroxyethyl(2,2,2-trifluoroethyl)carbamic acid
CID 174219308
Hydron;2-hydroxyethyl(trimethyl)azanium;carbonate
CID 22116670
N-ethyl-N-(2-hydroxyethyl)formamide
CID 23277870
Carboxy-diethyl-(2-hydroxyethyl)azanium
CID 134896586
2-Hydroxyethyl(trimethyl)azanium carbonate
CID 22179170

Frequently Asked Questions

What is the IUPAC name of bis(2-hydroxyethyl)carbamic acid?
The IUPAC name of bis(2-hydroxyethyl)carbamic acid (CID 15795359) is bis(2-hydroxyethyl)carbamic acid.
What is the SMILES notation for bis(2-hydroxyethyl)carbamic acid?
The canonical SMILES for bis(2-hydroxyethyl)carbamic acid is O=C(O)N(CCO)CCO.
What is the InChIKey of bis(2-hydroxyethyl)carbamic acid?
The InChIKey is PZFCKLKBGCAOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO4/c7-3-1-6(2-4-8)5(9)10/h7-8H,1-4H2,(H,9,10).
What are the key properties of bis(2-hydroxyethyl)carbamic acid?
bis(2-hydroxyethyl)carbamic acid has a molecular weight of 149.15 g/mol, XLogP of -1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-hydroxyethyl)carbamic acid is sourced from PubChem (CID 15795359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).