3-[(4-methylpiperazin-1-yl)carbamoylamino]butanoic acid

C10H20N4O3 — CID 83019757

IUPAC3-[(4-methylpiperazin-1-yl)carbamoylamino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)NN1CCN(C)CC1
InChIInChI=1S/C10H20N4O3/c1-8(7-9(15)16)11-10(17)12-14-5-3-13(2)4-6-14/h8H,3-7H2,1-2H3,(H,15,16)(H2,11,12,17)
InChIKeyOIBCXKMLYLWMBH-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.69
Rot. Bonds4

About 3-[(4-methylpiperazin-1-yl)carbamoylamino]butanoic acid

3-[(4-methylpiperazin-1-yl)carbamoylamino]butanoic acid (PubChem CID 83019757) has the molecular formula C10H20N4O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-[(4-methylpiperazin-1-yl)carbamoylamino]butanoic acid.

Molecular Properties

Compound Name3-[(4-methylpiperazin-1-yl)carbamoylamino]butanoic acid
PubChem CID83019757
Molecular FormulaC10H20N4O3
Molecular Weight244.29 g/mol
Exact Mass244.15
IUPAC Name3-[(4-methylpiperazin-1-yl)carbamoylamino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)NN1CCN(C)CC1
InChIInChI=1S/C10H20N4O3/c1-8(7-9(15)16)11-10(17)12-14-5-3-13(2)4-6-14/h8H,3-7H2,1-2H3,(H,15,16)(H2,11,12,17)
InChIKeyOIBCXKMLYLWMBH-UHFFFAOYSA-N
XLogP-0.69
TPSA84.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylpiperazin-1-yl)carbamoylamino]butanoic acid?
The IUPAC name of 3-[(4-methylpiperazin-1-yl)carbamoylamino]butanoic acid (CID 83019757) is 3-[(4-methylpiperazin-1-yl)carbamoylamino]butanoic acid.
What is the SMILES notation for 3-[(4-methylpiperazin-1-yl)carbamoylamino]butanoic acid?
The canonical SMILES for 3-[(4-methylpiperazin-1-yl)carbamoylamino]butanoic acid is CC(CC(=O)O)NC(=O)NN1CCN(C)CC1.
What is the InChIKey of 3-[(4-methylpiperazin-1-yl)carbamoylamino]butanoic acid?
The InChIKey is OIBCXKMLYLWMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O3/c1-8(7-9(15)16)11-10(17)12-14-5-3-13(2)4-6-14/h8H,3-7H2,1-2H3,(H,15,16)(H2,11,12,17).
What are the key properties of 3-[(4-methylpiperazin-1-yl)carbamoylamino]butanoic acid?
3-[(4-methylpiperazin-1-yl)carbamoylamino]butanoic acid has a molecular weight of 244.29 g/mol, XLogP of -0.69, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylpiperazin-1-yl)carbamoylamino]butanoic acid is sourced from PubChem (CID 83019757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).