2-[4-methyl-2,5-dioxo-1-(piperazin-1-ylmethyl)imidazolidin-4-yl]acetic acid

C11H18N4O4 — CID 90031107

IUPAC2-[4-methyl-2,5-dioxo-1-(piperazin-1-ylmethyl)imidazolidin-4-yl]acetic acid
SMILESCC1(CC(=O)O)NC(=O)N(CN2CCNCC2)C1=O
InChIInChI=1S/C11H18N4O4/c1-11(6-8(16)17)9(18)15(10(19)13-11)7-14-4-2-12-3-5-14/h12H,2-7H2,1H3,(H,13,19)(H,16,17)
InChIKeyKFHRQSFTQIBUKM-UHFFFAOYSA-N
MW270.29 g/mol
LogP-1.37
Rot. Bonds4

About 2-[4-methyl-2,5-dioxo-1-(piperazin-1-ylmethyl)imidazolidin-4-yl]acetic acid

2-[4-methyl-2,5-dioxo-1-(piperazin-1-ylmethyl)imidazolidin-4-yl]acetic acid (PubChem CID 90031107) has the molecular formula C11H18N4O4 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-[4-methyl-2,5-dioxo-1-(piperazin-1-ylmethyl)imidazolidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[4-methyl-2,5-dioxo-1-(piperazin-1-ylmethyl)imidazolidin-4-yl]acetic acid
PubChem CID90031107
Molecular FormulaC11H18N4O4
Molecular Weight270.29 g/mol
Exact Mass270.13
IUPAC Name2-[4-methyl-2,5-dioxo-1-(piperazin-1-ylmethyl)imidazolidin-4-yl]acetic acid
SMILESCC1(CC(=O)O)NC(=O)N(CN2CCNCC2)C1=O
InChIInChI=1S/C11H18N4O4/c1-11(6-8(16)17)9(18)15(10(19)13-11)7-14-4-2-12-3-5-14/h12H,2-7H2,1H3,(H,13,19)(H,16,17)
InChIKeyKFHRQSFTQIBUKM-UHFFFAOYSA-N
XLogP-1.37
TPSA101.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 5-1.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-2,5-dioxo-1-(piperazin-1-ylmethyl)imidazolidin-4-yl]acetic acid?
The IUPAC name of 2-[4-methyl-2,5-dioxo-1-(piperazin-1-ylmethyl)imidazolidin-4-yl]acetic acid (CID 90031107) is 2-[4-methyl-2,5-dioxo-1-(piperazin-1-ylmethyl)imidazolidin-4-yl]acetic acid.
What is the SMILES notation for 2-[4-methyl-2,5-dioxo-1-(piperazin-1-ylmethyl)imidazolidin-4-yl]acetic acid?
The canonical SMILES for 2-[4-methyl-2,5-dioxo-1-(piperazin-1-ylmethyl)imidazolidin-4-yl]acetic acid is CC1(CC(=O)O)NC(=O)N(CN2CCNCC2)C1=O.
What is the InChIKey of 2-[4-methyl-2,5-dioxo-1-(piperazin-1-ylmethyl)imidazolidin-4-yl]acetic acid?
The InChIKey is KFHRQSFTQIBUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4/c1-11(6-8(16)17)9(18)15(10(19)13-11)7-14-4-2-12-3-5-14/h12H,2-7H2,1H3,(H,13,19)(H,16,17).
What are the key properties of 2-[4-methyl-2,5-dioxo-1-(piperazin-1-ylmethyl)imidazolidin-4-yl]acetic acid?
2-[4-methyl-2,5-dioxo-1-(piperazin-1-ylmethyl)imidazolidin-4-yl]acetic acid has a molecular weight of 270.29 g/mol, XLogP of -1.37, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-2,5-dioxo-1-(piperazin-1-ylmethyl)imidazolidin-4-yl]acetic acid is sourced from PubChem (CID 90031107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).