2-[[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]methyl]pentanoic acid

C13H24N4O4 — CID 65223140

IUPAC2-[[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)NCC(=O)N1CCNCC1)C(=O)O
InChIInChI=1S/C13H24N4O4/c1-2-3-10(12(19)20)8-15-13(21)16-9-11(18)17-6-4-14-5-7-17/h10,14H,2-9H2,1H3,(H,19,20)(H2,15,16,21)
InChIKeyRDPUMEYRLXWHFS-UHFFFAOYSA-N
MW300.36 g/mol
LogP-0.78
Rot. Bonds7

About 2-[[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]methyl]pentanoic acid

2-[[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]methyl]pentanoic acid (PubChem CID 65223140) has the molecular formula C13H24N4O4 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]methyl]pentanoic acid
PubChem CID65223140
Molecular FormulaC13H24N4O4
Molecular Weight300.36 g/mol
Exact Mass300.18
IUPAC Name2-[[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)NCC(=O)N1CCNCC1)C(=O)O
InChIInChI=1S/C13H24N4O4/c1-2-3-10(12(19)20)8-15-13(21)16-9-11(18)17-6-4-14-5-7-17/h10,14H,2-9H2,1H3,(H,19,20)(H2,15,16,21)
InChIKeyRDPUMEYRLXWHFS-UHFFFAOYSA-N
XLogP-0.78
TPSA110.77 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 5-0.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]methyl]pentanoic acid?
The IUPAC name of 2-[[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]methyl]pentanoic acid (CID 65223140) is 2-[[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]methyl]pentanoic acid?
The canonical SMILES for 2-[[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]methyl]pentanoic acid is CCCC(CNC(=O)NCC(=O)N1CCNCC1)C(=O)O.
What is the InChIKey of 2-[[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]methyl]pentanoic acid?
The InChIKey is RDPUMEYRLXWHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O4/c1-2-3-10(12(19)20)8-15-13(21)16-9-11(18)17-6-4-14-5-7-17/h10,14H,2-9H2,1H3,(H,19,20)(H2,15,16,21).
What are the key properties of 2-[[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]methyl]pentanoic acid?
2-[[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]methyl]pentanoic acid has a molecular weight of 300.36 g/mol, XLogP of -0.78, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]methyl]pentanoic acid is sourced from PubChem (CID 65223140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).