1-[2-(1,3-dihydroxypropan-2-ylamino)ethyl]imidazolidin-2-one

C8H17N3O3 — CID 65313305

IUPAC1-[2-(1,3-dihydroxypropan-2-ylamino)ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNC(CO)CO
InChIInChI=1S/C8H17N3O3/c12-5-7(6-13)9-1-3-11-4-2-10-8(11)14/h7,9,12-13H,1-6H2,(H,10,14)
InChIKeyOAJJEKOBEXDEMJ-UHFFFAOYSA-N
MW203.24 g/mol
LogP-2.05
Rot. Bonds6

About 1-[2-(1,3-dihydroxypropan-2-ylamino)ethyl]imidazolidin-2-one

1-[2-(1,3-dihydroxypropan-2-ylamino)ethyl]imidazolidin-2-one (PubChem CID 65313305) has the molecular formula C8H17N3O3 and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-[2-(1,3-dihydroxypropan-2-ylamino)ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(1,3-dihydroxypropan-2-ylamino)ethyl]imidazolidin-2-one
PubChem CID65313305
Molecular FormulaC8H17N3O3
Molecular Weight203.24 g/mol
Exact Mass203.13
IUPAC Name1-[2-(1,3-dihydroxypropan-2-ylamino)ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNC(CO)CO
InChIInChI=1S/C8H17N3O3/c12-5-7(6-13)9-1-3-11-4-2-10-8(11)14/h7,9,12-13H,1-6H2,(H,10,14)
InChIKeyOAJJEKOBEXDEMJ-UHFFFAOYSA-N
XLogP-2.05
TPSA84.83 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-2.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-dihydroxypropan-2-ylamino)ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(1,3-dihydroxypropan-2-ylamino)ethyl]imidazolidin-2-one (CID 65313305) is 1-[2-(1,3-dihydroxypropan-2-ylamino)ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(1,3-dihydroxypropan-2-ylamino)ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(1,3-dihydroxypropan-2-ylamino)ethyl]imidazolidin-2-one is O=C1NCCN1CCNC(CO)CO.
What is the InChIKey of 1-[2-(1,3-dihydroxypropan-2-ylamino)ethyl]imidazolidin-2-one?
The InChIKey is OAJJEKOBEXDEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O3/c12-5-7(6-13)9-1-3-11-4-2-10-8(11)14/h7,9,12-13H,1-6H2,(H,10,14).
What are the key properties of 1-[2-(1,3-dihydroxypropan-2-ylamino)ethyl]imidazolidin-2-one?
1-[2-(1,3-dihydroxypropan-2-ylamino)ethyl]imidazolidin-2-one has a molecular weight of 203.24 g/mol, XLogP of -2.05, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-dihydroxypropan-2-ylamino)ethyl]imidazolidin-2-one is sourced from PubChem (CID 65313305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).