2-methyl-3-(2-piperazin-1-ylethylcarbamoylamino)propanoic acid

C11H22N4O3 — CID 62670809

IUPAC2-methyl-3-(2-piperazin-1-ylethylcarbamoylamino)propanoic acid
SMILESCC(CNC(=O)NCCN1CCNCC1)C(=O)O
InChIInChI=1S/C11H22N4O3/c1-9(10(16)17)8-14-11(18)13-4-7-15-5-2-12-3-6-15/h9,12H,2-8H2,1H3,(H,16,17)(H2,13,14,18)
InChIKeyUUAUPXCHWJJXEJ-UHFFFAOYSA-N
MW258.32 g/mol
LogP-1.09
Rot. Bonds6

About 2-methyl-3-(2-piperazin-1-ylethylcarbamoylamino)propanoic acid

2-methyl-3-(2-piperazin-1-ylethylcarbamoylamino)propanoic acid (PubChem CID 62670809) has the molecular formula C11H22N4O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-methyl-3-(2-piperazin-1-ylethylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(2-piperazin-1-ylethylcarbamoylamino)propanoic acid
PubChem CID62670809
Molecular FormulaC11H22N4O3
Molecular Weight258.32 g/mol
Exact Mass258.17
IUPAC Name2-methyl-3-(2-piperazin-1-ylethylcarbamoylamino)propanoic acid
SMILESCC(CNC(=O)NCCN1CCNCC1)C(=O)O
InChIInChI=1S/C11H22N4O3/c1-9(10(16)17)8-14-11(18)13-4-7-15-5-2-12-3-6-15/h9,12H,2-8H2,1H3,(H,16,17)(H2,13,14,18)
InChIKeyUUAUPXCHWJJXEJ-UHFFFAOYSA-N
XLogP-1.09
TPSA93.70 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-1.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-piperazin-1-ylethylcarbamoylamino)propanoic acid?
The IUPAC name of 2-methyl-3-(2-piperazin-1-ylethylcarbamoylamino)propanoic acid (CID 62670809) is 2-methyl-3-(2-piperazin-1-ylethylcarbamoylamino)propanoic acid.
What is the SMILES notation for 2-methyl-3-(2-piperazin-1-ylethylcarbamoylamino)propanoic acid?
The canonical SMILES for 2-methyl-3-(2-piperazin-1-ylethylcarbamoylamino)propanoic acid is CC(CNC(=O)NCCN1CCNCC1)C(=O)O.
What is the InChIKey of 2-methyl-3-(2-piperazin-1-ylethylcarbamoylamino)propanoic acid?
The InChIKey is UUAUPXCHWJJXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O3/c1-9(10(16)17)8-14-11(18)13-4-7-15-5-2-12-3-6-15/h9,12H,2-8H2,1H3,(H,16,17)(H2,13,14,18).
What are the key properties of 2-methyl-3-(2-piperazin-1-ylethylcarbamoylamino)propanoic acid?
2-methyl-3-(2-piperazin-1-ylethylcarbamoylamino)propanoic acid has a molecular weight of 258.32 g/mol, XLogP of -1.09, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-piperazin-1-ylethylcarbamoylamino)propanoic acid is sourced from PubChem (CID 62670809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).