1-(dihydroxymethyl)-3-ethylurea

C4H10N2O3 — CID 141116762

IUPAC1-(dihydroxymethyl)-3-ethylurea
SMILESCCNC(=O)NC(O)O
InChIInChI=1S/C4H10N2O3/c1-2-5-3(7)6-4(8)9/h4,8-9H,2H2,1H3,(H2,5,6,7)
InChIKeyFZFGALWZKDFKLM-UHFFFAOYSA-N
MW134.13 g/mol
LogP-1.43
Rot. Bonds2

About 1-(dihydroxymethyl)-3-ethylurea

1-(dihydroxymethyl)-3-ethylurea (PubChem CID 141116762) has the molecular formula C4H10N2O3 and a molecular weight of 134.13 g/mol. Its IUPAC name is 1-(dihydroxymethyl)-3-ethylurea.

Molecular Properties

Compound Name1-(dihydroxymethyl)-3-ethylurea
PubChem CID141116762
Molecular FormulaC4H10N2O3
Molecular Weight134.13 g/mol
Exact Mass134.07
IUPAC Name1-(dihydroxymethyl)-3-ethylurea
SMILESCCNC(=O)NC(O)O
InChIInChI=1S/C4H10N2O3/c1-2-5-3(7)6-4(8)9/h4,8-9H,2H2,1H3,(H2,5,6,7)
InChIKeyFZFGALWZKDFKLM-UHFFFAOYSA-N
XLogP-1.43
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.13
LogP ≤ 5-1.43
H-Bond Donors ≤ 54
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

ethane;1-ethyl-3-propan-2-ylurea
CID 156793066
1,3-diethylurea;ethane
CID 142885504
1-ethyl-3-(1-fluoropropan-2-yl)urea
CID 126991916
2-(ethylcarbamoylamino)propanamide
CID 115582785
1-ethyl-3-[1-[2-(ethylcarbamoylamino)propoxy]propan-2-yl]urea
CID 158499294
methyl 2-(ethylcarbamoylamino)propanoate
CID 60980356
(2R)-2-(ethylcarbamoylamino)-3-sulfanylpropanoic acid
CID 23618356
1-ethyl-3-[(2R)-6-methylheptan-2-yl]urea
CID 94702761
2-(ethylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 43468018
ethane;1-ethyl-3-heptan-4-ylurea;2-methylpropane
CID 178008205
1,3-bis(ethylcarbamoyl)urea
CID 134915369
1-ethyl-3-octan-2-ylurea
CID 56827686

Frequently Asked Questions

What is the IUPAC name of 1-(dihydroxymethyl)-3-ethylurea?
The IUPAC name of 1-(dihydroxymethyl)-3-ethylurea (CID 141116762) is 1-(dihydroxymethyl)-3-ethylurea.
What is the SMILES notation for 1-(dihydroxymethyl)-3-ethylurea?
The canonical SMILES for 1-(dihydroxymethyl)-3-ethylurea is CCNC(=O)NC(O)O.
What is the InChIKey of 1-(dihydroxymethyl)-3-ethylurea?
The InChIKey is FZFGALWZKDFKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O3/c1-2-5-3(7)6-4(8)9/h4,8-9H,2H2,1H3,(H2,5,6,7).
What are the key properties of 1-(dihydroxymethyl)-3-ethylurea?
1-(dihydroxymethyl)-3-ethylurea has a molecular weight of 134.13 g/mol, XLogP of -1.43, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dihydroxymethyl)-3-ethylurea is sourced from PubChem (CID 141116762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).