3,3-dimethyl-2-[4-methyl-2,5-dioxo-1-(piperazin-1-ylmethyl)imidazolidin-4-yl]butanoic acid

C15H26N4O4 — CID 90030677

IUPAC3,3-dimethyl-2-[4-methyl-2,5-dioxo-1-(piperazin-1-ylmethyl)imidazolidin-4-yl]butanoic acid
SMILESCC(C)(C)C(C(=O)O)C1(C)NC(=O)N(CN2CCNCC2)C1=O
InChIInChI=1S/C15H26N4O4/c1-14(2,3)10(11(20)21)15(4)12(22)19(13(23)17-15)9-18-7-5-16-6-8-18/h10,16H,5-9H2,1-4H3,(H,17,23)(H,20,21)
InChIKeyMEULNDNTTFHMSO-UHFFFAOYSA-N
MW326.40 g/mol
LogP-0.09
Rot. Bonds4

About 3,3-dimethyl-2-[4-methyl-2,5-dioxo-1-(piperazin-1-ylmethyl)imidazolidin-4-yl]butanoic acid

3,3-dimethyl-2-[4-methyl-2,5-dioxo-1-(piperazin-1-ylmethyl)imidazolidin-4-yl]butanoic acid (PubChem CID 90030677) has the molecular formula C15H26N4O4 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3,3-dimethyl-2-[4-methyl-2,5-dioxo-1-(piperazin-1-ylmethyl)imidazolidin-4-yl]butanoic acid.

Molecular Properties

Compound Name3,3-dimethyl-2-[4-methyl-2,5-dioxo-1-(piperazin-1-ylmethyl)imidazolidin-4-yl]butanoic acid
PubChem CID90030677
Molecular FormulaC15H26N4O4
Molecular Weight326.40 g/mol
Exact Mass326.20
IUPAC Name3,3-dimethyl-2-[4-methyl-2,5-dioxo-1-(piperazin-1-ylmethyl)imidazolidin-4-yl]butanoic acid
SMILESCC(C)(C)C(C(=O)O)C1(C)NC(=O)N(CN2CCNCC2)C1=O
InChIInChI=1S/C15H26N4O4/c1-14(2,3)10(11(20)21)15(4)12(22)19(13(23)17-15)9-18-7-5-16-6-8-18/h10,16H,5-9H2,1-4H3,(H,17,23)(H,20,21)
InChIKeyMEULNDNTTFHMSO-UHFFFAOYSA-N
XLogP-0.09
TPSA101.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 5-0.09
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 3,3-dimethyl-2-[4-methyl-2,5-dioxo-1-(piperazin-1-ylmethyl)imidazolidin-4-yl]butanoic acid?
The IUPAC name of 3,3-dimethyl-2-[4-methyl-2,5-dioxo-1-(piperazin-1-ylmethyl)imidazolidin-4-yl]butanoic acid (CID 90030677) is 3,3-dimethyl-2-[4-methyl-2,5-dioxo-1-(piperazin-1-ylmethyl)imidazolidin-4-yl]butanoic acid.
What is the SMILES notation for 3,3-dimethyl-2-[4-methyl-2,5-dioxo-1-(piperazin-1-ylmethyl)imidazolidin-4-yl]butanoic acid?
The canonical SMILES for 3,3-dimethyl-2-[4-methyl-2,5-dioxo-1-(piperazin-1-ylmethyl)imidazolidin-4-yl]butanoic acid is CC(C)(C)C(C(=O)O)C1(C)NC(=O)N(CN2CCNCC2)C1=O.
What is the InChIKey of 3,3-dimethyl-2-[4-methyl-2,5-dioxo-1-(piperazin-1-ylmethyl)imidazolidin-4-yl]butanoic acid?
The InChIKey is MEULNDNTTFHMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O4/c1-14(2,3)10(11(20)21)15(4)12(22)19(13(23)17-15)9-18-7-5-16-6-8-18/h10,16H,5-9H2,1-4H3,(H,17,23)(H,20,21).
What are the key properties of 3,3-dimethyl-2-[4-methyl-2,5-dioxo-1-(piperazin-1-ylmethyl)imidazolidin-4-yl]butanoic acid?
3,3-dimethyl-2-[4-methyl-2,5-dioxo-1-(piperazin-1-ylmethyl)imidazolidin-4-yl]butanoic acid has a molecular weight of 326.40 g/mol, XLogP of -0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-[4-methyl-2,5-dioxo-1-(piperazin-1-ylmethyl)imidazolidin-4-yl]butanoic acid is sourced from PubChem (CID 90030677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).