1-(2-hydroxyethyl)-3-(5-oxopyrrolidin-3-yl)urea

C7H13N3O3 — CID 130625812

IUPAC1-(2-hydroxyethyl)-3-(5-oxopyrrolidin-3-yl)urea
SMILESO=C1CC(NC(=O)NCCO)CN1
InChIInChI=1S/C7H13N3O3/c11-2-1-8-7(13)10-5-3-6(12)9-4-5/h5,11H,1-4H2,(H,9,12)(H2,8,10,13)
InChIKeyDWSNRTZJYUXGHY-UHFFFAOYSA-N
MW187.20 g/mol
LogP-1.83
Rot. Bonds3

About 1-(2-hydroxyethyl)-3-(5-oxopyrrolidin-3-yl)urea

1-(2-hydroxyethyl)-3-(5-oxopyrrolidin-3-yl)urea (PubChem CID 130625812) has the molecular formula C7H13N3O3 and a molecular weight of 187.20 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-(5-oxopyrrolidin-3-yl)urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-(5-oxopyrrolidin-3-yl)urea
PubChem CID130625812
Molecular FormulaC7H13N3O3
Molecular Weight187.20 g/mol
Exact Mass187.10
IUPAC Name1-(2-hydroxyethyl)-3-(5-oxopyrrolidin-3-yl)urea
SMILESO=C1CC(NC(=O)NCCO)CN1
InChIInChI=1S/C7H13N3O3/c11-2-1-8-7(13)10-5-3-6(12)9-4-5/h5,11H,1-4H2,(H,9,12)(H2,8,10,13)
InChIKeyDWSNRTZJYUXGHY-UHFFFAOYSA-N
XLogP-1.83
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 5-1.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(5-oxopyrrolidin-3-yl)carbamoylamino]hexanoic acid
CID 106191828
1-[(3R)-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea
CID 95985030
1-amino-3-(5-oxopyrrolidin-3-yl)urea
CID 106197369
2-hydroxy-3-[(5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid
CID 106192133
2-chloro-N-(5-oxopyrrolidin-3-yl)acetamide
CID 106186093
1-[[(5-oxopyrrolidin-3-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 114156297
4-[2-[(5-oxopyrrolidin-3-yl)carbamoylamino]ethyl]heptanoic acid
CID 106191609
(2R)-3-hydroxy-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid
CID 106192063
1-methyl-3-(5-oxopyrrolidin-3-yl)thiourea
CID 106186247
3-chloro-N-[(5-oxopyrrolidin-3-yl)carbamoyl]propanamide
CID 106192180
3-(ethylamino)-N-(5-oxopyrrolidin-3-yl)propanamide
CID 106187570
1-(naphthalen-1-ylmethyl)-3-(5-oxopyrrolidin-3-yl)urea
CID 71789120

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-(5-oxopyrrolidin-3-yl)urea?
The IUPAC name of 1-(2-hydroxyethyl)-3-(5-oxopyrrolidin-3-yl)urea (CID 130625812) is 1-(2-hydroxyethyl)-3-(5-oxopyrrolidin-3-yl)urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-(5-oxopyrrolidin-3-yl)urea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-(5-oxopyrrolidin-3-yl)urea is O=C1CC(NC(=O)NCCO)CN1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-(5-oxopyrrolidin-3-yl)urea?
The InChIKey is DWSNRTZJYUXGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O3/c11-2-1-8-7(13)10-5-3-6(12)9-4-5/h5,11H,1-4H2,(H,9,12)(H2,8,10,13).
What are the key properties of 1-(2-hydroxyethyl)-3-(5-oxopyrrolidin-3-yl)urea?
1-(2-hydroxyethyl)-3-(5-oxopyrrolidin-3-yl)urea has a molecular weight of 187.20 g/mol, XLogP of -1.83, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-(5-oxopyrrolidin-3-yl)urea is sourced from PubChem (CID 130625812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).