2-[methyl-[(4-methylpiperazin-1-yl)carbamoyl]amino]propanoic acid

C10H20N4O3 — CID 83019514

IUPAC2-[methyl-[(4-methylpiperazin-1-yl)carbamoyl]amino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)NN1CCN(C)CC1
InChIInChI=1S/C10H20N4O3/c1-8(9(15)16)13(3)10(17)11-14-6-4-12(2)5-7-14/h8H,4-7H2,1-3H3,(H,11,17)(H,15,16)
InChIKeyOFVQSILFAIMYCT-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.74
Rot. Bonds3

About 2-[methyl-[(4-methylpiperazin-1-yl)carbamoyl]amino]propanoic acid

2-[methyl-[(4-methylpiperazin-1-yl)carbamoyl]amino]propanoic acid (PubChem CID 83019514) has the molecular formula C10H20N4O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[methyl-[(4-methylpiperazin-1-yl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl-[(4-methylpiperazin-1-yl)carbamoyl]amino]propanoic acid
PubChem CID83019514
Molecular FormulaC10H20N4O3
Molecular Weight244.29 g/mol
Exact Mass244.15
IUPAC Name2-[methyl-[(4-methylpiperazin-1-yl)carbamoyl]amino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)NN1CCN(C)CC1
InChIInChI=1S/C10H20N4O3/c1-8(9(15)16)13(3)10(17)11-14-6-4-12(2)5-7-14/h8H,4-7H2,1-3H3,(H,11,17)(H,15,16)
InChIKeyOFVQSILFAIMYCT-UHFFFAOYSA-N
XLogP-0.74
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(4-methylpiperazin-1-yl)carbamoyl]amino]propanoic acid?
The IUPAC name of 2-[methyl-[(4-methylpiperazin-1-yl)carbamoyl]amino]propanoic acid (CID 83019514) is 2-[methyl-[(4-methylpiperazin-1-yl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 2-[methyl-[(4-methylpiperazin-1-yl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 2-[methyl-[(4-methylpiperazin-1-yl)carbamoyl]amino]propanoic acid is CC(C(=O)O)N(C)C(=O)NN1CCN(C)CC1.
What is the InChIKey of 2-[methyl-[(4-methylpiperazin-1-yl)carbamoyl]amino]propanoic acid?
The InChIKey is OFVQSILFAIMYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O3/c1-8(9(15)16)13(3)10(17)11-14-6-4-12(2)5-7-14/h8H,4-7H2,1-3H3,(H,11,17)(H,15,16).
What are the key properties of 2-[methyl-[(4-methylpiperazin-1-yl)carbamoyl]amino]propanoic acid?
2-[methyl-[(4-methylpiperazin-1-yl)carbamoyl]amino]propanoic acid has a molecular weight of 244.29 g/mol, XLogP of -0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(4-methylpiperazin-1-yl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 83019514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).