5-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid

C11H22N4O3 — CID 83019684

IUPAC5-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid
SMILESCN1CCN(NC(=O)NCCCCC(=O)O)CC1
InChIInChI=1S/C11H22N4O3/c1-14-6-8-15(9-7-14)13-11(18)12-5-3-2-4-10(16)17/h2-9H2,1H3,(H,16,17)(H2,12,13,18)
InChIKeyFBMRJZSYJVBYHP-UHFFFAOYSA-N
MW258.32 g/mol
LogP-0.30
Rot. Bonds6

About 5-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid

5-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid (PubChem CID 83019684) has the molecular formula C11H22N4O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name5-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid
PubChem CID83019684
Molecular FormulaC11H22N4O3
Molecular Weight258.32 g/mol
Exact Mass258.17
IUPAC Name5-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid
SMILESCN1CCN(NC(=O)NCCCCC(=O)O)CC1
InChIInChI=1S/C11H22N4O3/c1-14-6-8-15(9-7-14)13-11(18)12-5-3-2-4-10(16)17/h2-9H2,1H3,(H,16,17)(H2,12,13,18)
InChIKeyFBMRJZSYJVBYHP-UHFFFAOYSA-N
XLogP-0.30
TPSA84.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-(morpholin-4-ylcarbamoylamino)heptanoic acid
CID 83020507
2-[(4-methylpiperazin-1-yl)carbamoylamino]acetic acid
CID 83020661
4-[(1-methylpiperidin-4-yl)carbamoylamino]butanoic acid
CID 61198226
7-(thiomorpholine-4-carbonylamino)heptanoic acid
CID 61200253
2-methyl-3-[(4-methylpiperazin-1-yl)carbamoylamino]propanoic acid
CID 83019681
7-[(1-methylpyrrolidin-3-yl)methylcarbamoylamino]heptanoic acid
CID 61206222
6-[(1-methylpyrrolidin-3-yl)carbamoylamino]hexanoic acid
CID 54950039
7-[(1-methylpiperidin-3-yl)carbamoylamino]heptanoic acid
CID 61223092
1-hydroxy-3-(4-methylpiperazin-1-yl)urea
CID 23526196
3-[(4-methyl-1,4-diazepane-1-carbonyl)amino]propanoic acid
CID 61193497
7-[(4,4-dimethylpiperidine-1-carbonyl)amino]heptanoic acid
CID 62931364
1-benzyl-3-(4-methylpiperazin-1-yl)urea
CID 107653207

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid?
The IUPAC name of 5-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid (CID 83019684) is 5-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid.
What is the SMILES notation for 5-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid?
The canonical SMILES for 5-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid is CN1CCN(NC(=O)NCCCCC(=O)O)CC1.
What is the InChIKey of 5-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid?
The InChIKey is FBMRJZSYJVBYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O3/c1-14-6-8-15(9-7-14)13-11(18)12-5-3-2-4-10(16)17/h2-9H2,1H3,(H,16,17)(H2,12,13,18).
What are the key properties of 5-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid?
5-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid has a molecular weight of 258.32 g/mol, XLogP of -0.30, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid is sourced from PubChem (CID 83019684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).