bis(1-hydroxyethyl)carbamic acid

C5H11NO4 — CID 23322201

IUPACbis(1-hydroxyethyl)carbamic acid
SMILESCC(O)N(C(=O)O)C(C)O
InChIInChI=1S/C5H11NO4/c1-3(7)6(4(2)8)5(9)10/h3-4,7-8H,1-2H3,(H,9,10)
InChIKeyJCSBCLFGXBMMKN-UHFFFAOYSA-N
MW149.15 g/mol
LogP-0.36
Rot. Bonds2

About bis(1-hydroxyethyl)carbamic acid

bis(1-hydroxyethyl)carbamic acid (PubChem CID 23322201) has the molecular formula C5H11NO4 and a molecular weight of 149.15 g/mol. Its IUPAC name is bis(1-hydroxyethyl)carbamic acid.

Molecular Properties

Compound Namebis(1-hydroxyethyl)carbamic acid
PubChem CID23322201
Molecular FormulaC5H11NO4
Molecular Weight149.15 g/mol
Exact Mass149.07
IUPAC Namebis(1-hydroxyethyl)carbamic acid
SMILESCC(O)N(C(=O)O)C(C)O
InChIInChI=1S/C5H11NO4/c1-3(7)6(4(2)8)5(9)10/h3-4,7-8H,1-2H3,(H,9,10)
InChIKeyJCSBCLFGXBMMKN-UHFFFAOYSA-N
XLogP-0.36
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl N-(2-hydroxyethyl)-N-methylcarbamate
CID 568300
N-Ethyl-N-(1-hydroxyethyl)formamide
CID 20086843
Bis(2-hydroxyethyl) carbamic acid
CID 15795359
N-Formyl-N-methylaminoethanol
CID 20551264
ethanol-N,N'-dimethyl formamide
CID 87075040
1-Fluoroethyl(1-methoxyethyl)carbamic acid
CID 124102633
2-Fluoroethyl(1-methoxyethyl)carbamic acid
CID 124102635
3-Fluoropropyl(1-hydroxyethyl)carbamic acid
CID 134211585
Carboxy-diethyl-(2-hydroxyethyl)azanium
CID 134896586
N-methyldiethanolamine carbonic acid salt
CID 12507221
methyl N-ethyl-N-(2-hydroxyethyl)carbamate
CID 12587960
methyl N,N-bis(2-hydroxyethyl)carbamate
CID 17922454

Frequently Asked Questions

What is the IUPAC name of bis(1-hydroxyethyl)carbamic acid?
The IUPAC name of bis(1-hydroxyethyl)carbamic acid (CID 23322201) is bis(1-hydroxyethyl)carbamic acid.
What is the SMILES notation for bis(1-hydroxyethyl)carbamic acid?
The canonical SMILES for bis(1-hydroxyethyl)carbamic acid is CC(O)N(C(=O)O)C(C)O.
What is the InChIKey of bis(1-hydroxyethyl)carbamic acid?
The InChIKey is JCSBCLFGXBMMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO4/c1-3(7)6(4(2)8)5(9)10/h3-4,7-8H,1-2H3,(H,9,10).
What are the key properties of bis(1-hydroxyethyl)carbamic acid?
bis(1-hydroxyethyl)carbamic acid has a molecular weight of 149.15 g/mol, XLogP of -0.36, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-hydroxyethyl)carbamic acid is sourced from PubChem (CID 23322201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).