3-[(3,4-dimethylpiperazine-1-carbonyl)amino]butanoic acid

C11H21N3O3 — CID 63605097

IUPAC3-[(3,4-dimethylpiperazine-1-carbonyl)amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)N1CCN(C)C(C)C1
InChIInChI=1S/C11H21N3O3/c1-8(6-10(15)16)12-11(17)14-5-4-13(3)9(2)7-14/h8-9H,4-7H2,1-3H3,(H,12,17)(H,15,16)
InChIKeyUGVGDUXUWJGXOP-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.20
Rot. Bonds3

About 3-[(3,4-dimethylpiperazine-1-carbonyl)amino]butanoic acid

3-[(3,4-dimethylpiperazine-1-carbonyl)amino]butanoic acid (PubChem CID 63605097) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-[(3,4-dimethylpiperazine-1-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[(3,4-dimethylpiperazine-1-carbonyl)amino]butanoic acid
PubChem CID63605097
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name3-[(3,4-dimethylpiperazine-1-carbonyl)amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)N1CCN(C)C(C)C1
InChIInChI=1S/C11H21N3O3/c1-8(6-10(15)16)12-11(17)14-5-4-13(3)9(2)7-14/h8-9H,4-7H2,1-3H3,(H,12,17)(H,15,16)
InChIKeyUGVGDUXUWJGXOP-UHFFFAOYSA-N
XLogP0.20
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3,4-dimethylpiperazine-1-carbonyl)amino]pentanedioic acid
CID 63605099
3-[(3-aminopyrrolidine-1-carbonyl)amino]butanoic acid
CID 62067755
3-[(3-methoxypiperidine-1-carbonyl)amino]butanoic acid
CID 102962940
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carbonylamino)butanoic acid
CID 55165606
3-[(4-acetyl-1,4-diazepane-1-carbonyl)amino]butanoic acid
CID 55003133
3-[(4-hydroxypiperidine-1-carbonyl)amino]butanoic acid
CID 61191657
5-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]hexanoic acid
CID 82848014
2-[carboxymethyl-(3,4-dimethylpiperazine-1-carbonyl)amino]acetic acid
CID 63645834
N-(4-amino-4-oxobutan-2-yl)-3-methylpiperidine-1-carboxamide
CID 116657977
3-(thiomorpholine-4-carbonylamino)butanoic acid
CID 61200427
2-(tert-butylamino)-1-(3,4-dimethylpiperazin-1-yl)ethanone
CID 79256799
2-[4-[(3,4-dimethylpiperazine-1-carbonyl)amino]phenyl]acetic acid
CID 63605276

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethylpiperazine-1-carbonyl)amino]butanoic acid?
The IUPAC name of 3-[(3,4-dimethylpiperazine-1-carbonyl)amino]butanoic acid (CID 63605097) is 3-[(3,4-dimethylpiperazine-1-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-[(3,4-dimethylpiperazine-1-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-[(3,4-dimethylpiperazine-1-carbonyl)amino]butanoic acid is CC(CC(=O)O)NC(=O)N1CCN(C)C(C)C1.
What is the InChIKey of 3-[(3,4-dimethylpiperazine-1-carbonyl)amino]butanoic acid?
The InChIKey is UGVGDUXUWJGXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-8(6-10(15)16)12-11(17)14-5-4-13(3)9(2)7-14/h8-9H,4-7H2,1-3H3,(H,12,17)(H,15,16).
What are the key properties of 3-[(3,4-dimethylpiperazine-1-carbonyl)amino]butanoic acid?
3-[(3,4-dimethylpiperazine-1-carbonyl)amino]butanoic acid has a molecular weight of 243.31 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethylpiperazine-1-carbonyl)amino]butanoic acid is sourced from PubChem (CID 63605097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).