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

C12H24N4O3 — CID 83020487

IUPAC4-methyl-3-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid
SMILESCC(C)C(CC(=O)O)NC(=O)NN1CCN(C)CC1
InChIInChI=1S/C12H24N4O3/c1-9(2)10(8-11(17)18)13-12(19)14-16-6-4-15(3)5-7-16/h9-10H,4-8H2,1-3H3,(H,17,18)(H2,13,14,19)
InChIKeyZSXVZAITWAUMBZ-UHFFFAOYSA-N
MW272.35 g/mol
LogP-0.05
Rot. Bonds5

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

4-methyl-3-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid (PubChem CID 83020487) has the molecular formula C12H24N4O3 and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-methyl-3-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-3-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid
PubChem CID83020487
Molecular FormulaC12H24N4O3
Molecular Weight272.35 g/mol
Exact Mass272.18
IUPAC Name4-methyl-3-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid
SMILESCC(C)C(CC(=O)O)NC(=O)NN1CCN(C)CC1
InChIInChI=1S/C12H24N4O3/c1-9(2)10(8-11(17)18)13-12(19)14-16-6-4-15(3)5-7-16/h9-10H,4-8H2,1-3H3,(H,17,18)(H2,13,14,19)
InChIKeyZSXVZAITWAUMBZ-UHFFFAOYSA-N
XLogP-0.05
TPSA84.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid
CID 83019834
2-[(4-methylpiperazin-1-yl)carbamoylamino]propanoic acid
CID 83020744
(2R)-2-[(4-methylpiperazin-1-yl)carbamoylamino]propanoic acid
CID 83020654
2-[(4-methylpiperazin-1-yl)carbamoylamino]acetic acid
CID 83020661
3-methyl-5-[(4-methylpiperazin-1-yl)amino]-5-oxopentanoic acid
CID 83005393
(2R)-3,3-dimethyl-2-[(4-methylpiperazin-1-yl)carbamoylamino]butanoic acid
CID 103928248
(2R)-2-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid
CID 107567456
2-methyl-3-[(4-methylpiperazin-1-yl)carbamoylamino]propanoic acid
CID 83019681
1-hydroxy-3-(4-methylpiperazin-1-yl)urea
CID 23526196
4-methyl-3-(4-methylpiperazin-1-yl)pentanoic acid
CID 65422292
5-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid
CID 83019684
3-acetamido-4-methylpentanoic acid
CID 22460001

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid?
The IUPAC name of 4-methyl-3-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid (CID 83020487) is 4-methyl-3-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid.
What is the SMILES notation for 4-methyl-3-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid?
The canonical SMILES for 4-methyl-3-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid is CC(C)C(CC(=O)O)NC(=O)NN1CCN(C)CC1.
What is the InChIKey of 4-methyl-3-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid?
The InChIKey is ZSXVZAITWAUMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O3/c1-9(2)10(8-11(17)18)13-12(19)14-16-6-4-15(3)5-7-16/h9-10H,4-8H2,1-3H3,(H,17,18)(H2,13,14,19).
What are the key properties of 4-methyl-3-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid?
4-methyl-3-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid has a molecular weight of 272.35 g/mol, XLogP of -0.05, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid is sourced from PubChem (CID 83020487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).