1-[2-[(4-hydroxyoxan-4-yl)methyl-methylamino]acetyl]imidazolidin-2-one

C12H21N3O4 — CID 114952770

IUPAC1-[2-[(4-hydroxyoxan-4-yl)methyl-methylamino]acetyl]imidazolidin-2-one
SMILESCN(CC(=O)N1CCNC1=O)CC1(O)CCOCC1
InChIInChI=1S/C12H21N3O4/c1-14(9-12(18)2-6-19-7-3-12)8-10(16)15-5-4-13-11(15)17/h18H,2-9H2,1H3,(H,13,17)
InChIKeyLFTULLCAJGWIPJ-UHFFFAOYSA-N
MW271.32 g/mol
LogP-0.99
Rot. Bonds4

About 1-[2-[(4-hydroxyoxan-4-yl)methyl-methylamino]acetyl]imidazolidin-2-one

1-[2-[(4-hydroxyoxan-4-yl)methyl-methylamino]acetyl]imidazolidin-2-one (PubChem CID 114952770) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-[2-[(4-hydroxyoxan-4-yl)methyl-methylamino]acetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[(4-hydroxyoxan-4-yl)methyl-methylamino]acetyl]imidazolidin-2-one
PubChem CID114952770
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name1-[2-[(4-hydroxyoxan-4-yl)methyl-methylamino]acetyl]imidazolidin-2-one
SMILESCN(CC(=O)N1CCNC1=O)CC1(O)CCOCC1
InChIInChI=1S/C12H21N3O4/c1-14(9-12(18)2-6-19-7-3-12)8-10(16)15-5-4-13-11(15)17/h18H,2-9H2,1H3,(H,13,17)
InChIKeyLFTULLCAJGWIPJ-UHFFFAOYSA-N
XLogP-0.99
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-hydroxyoxan-4-yl)methyl-methylamino]acetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[(4-hydroxyoxan-4-yl)methyl-methylamino]acetyl]imidazolidin-2-one (CID 114952770) is 1-[2-[(4-hydroxyoxan-4-yl)methyl-methylamino]acetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[(4-hydroxyoxan-4-yl)methyl-methylamino]acetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[(4-hydroxyoxan-4-yl)methyl-methylamino]acetyl]imidazolidin-2-one is CN(CC(=O)N1CCNC1=O)CC1(O)CCOCC1.
What is the InChIKey of 1-[2-[(4-hydroxyoxan-4-yl)methyl-methylamino]acetyl]imidazolidin-2-one?
The InChIKey is LFTULLCAJGWIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-14(9-12(18)2-6-19-7-3-12)8-10(16)15-5-4-13-11(15)17/h18H,2-9H2,1H3,(H,13,17).
What are the key properties of 1-[2-[(4-hydroxyoxan-4-yl)methyl-methylamino]acetyl]imidazolidin-2-one?
1-[2-[(4-hydroxyoxan-4-yl)methyl-methylamino]acetyl]imidazolidin-2-one has a molecular weight of 271.32 g/mol, XLogP of -0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-hydroxyoxan-4-yl)methyl-methylamino]acetyl]imidazolidin-2-one is sourced from PubChem (CID 114952770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).