3-hydroxy-1,1-bis(hydroxymethyl)urea

C3H8N2O4 — CID 87879214

IUPAC3-hydroxy-1,1-bis(hydroxymethyl)urea
SMILESO=C(NO)N(CO)CO
InChIInChI=1S/C3H8N2O4/c6-1-5(2-7)3(8)4-9/h6-7,9H,1-2H2,(H,4,8)
InChIKeyLYJKRXMDDNSXEW-UHFFFAOYSA-N
MW136.11 g/mol
LogP-1.71
Rot. Bonds2

About 3-hydroxy-1,1-bis(hydroxymethyl)urea

3-hydroxy-1,1-bis(hydroxymethyl)urea (PubChem CID 87879214) has the molecular formula C3H8N2O4 and a molecular weight of 136.11 g/mol. Its IUPAC name is 3-hydroxy-1,1-bis(hydroxymethyl)urea.

Molecular Properties

Compound Name3-hydroxy-1,1-bis(hydroxymethyl)urea
PubChem CID87879214
Molecular FormulaC3H8N2O4
Molecular Weight136.11 g/mol
Exact Mass136.05
IUPAC Name3-hydroxy-1,1-bis(hydroxymethyl)urea
SMILESO=C(NO)N(CO)CO
InChIInChI=1S/C3H8N2O4/c6-1-5(2-7)3(8)4-9/h6-7,9H,1-2H2,(H,4,8)
InChIKeyLYJKRXMDDNSXEW-UHFFFAOYSA-N
XLogP-1.71
TPSA93.03 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.11
LogP ≤ 5-1.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis(2-hydroxyethyl)-1,3-bis(hydroxymethyl)urea
CID 157141155
2-methoxyethyl N-[[bis(hydroxymethyl)carbamoylamino]methyl]carbamate
CID 59532811
1-ethyl-1,3,3-tris(hydroxymethyl)urea
CID 18402780
hydroxymethyl N,N-bis(hydroxymethyl)carbamate
CID 139920036
N-hydroxy-N-(hydroxycarbamoyl)formamide
CID 173434869
N-ethyl-N-(hydroxymethyl)propanamide
CID 18715922
N-(aminomethyl)-N-(hydroxymethyl)acetamide
CID 59944687
1,1,3-tris(hydroxymethyl)-3-(3-hydroxypropyl)urea
CID 175507272
1-bromo-1-cyano-3-hydroxyurea
CID 154480945
1-ethenyl-3-[hydroxymethyl(methyl)carbamoyl]-1-methylurea
CID 89271029
1-ethenyl-1,3,3-tris(hydroxymethyl)urea
CID 154134993
azonous acid;oxalic acid
CID 172853000

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1,1-bis(hydroxymethyl)urea?
The IUPAC name of 3-hydroxy-1,1-bis(hydroxymethyl)urea (CID 87879214) is 3-hydroxy-1,1-bis(hydroxymethyl)urea.
What is the SMILES notation for 3-hydroxy-1,1-bis(hydroxymethyl)urea?
The canonical SMILES for 3-hydroxy-1,1-bis(hydroxymethyl)urea is O=C(NO)N(CO)CO.
What is the InChIKey of 3-hydroxy-1,1-bis(hydroxymethyl)urea?
The InChIKey is LYJKRXMDDNSXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2O4/c6-1-5(2-7)3(8)4-9/h6-7,9H,1-2H2,(H,4,8).
What are the key properties of 3-hydroxy-1,1-bis(hydroxymethyl)urea?
3-hydroxy-1,1-bis(hydroxymethyl)urea has a molecular weight of 136.11 g/mol, XLogP of -1.71, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1,1-bis(hydroxymethyl)urea is sourced from PubChem (CID 87879214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).