4-amino-2-(3,4,5-trimethylpiperazin-1-yl)butanoic acid

C11H23N3O2 — CID 114540817

IUPAC4-amino-2-(3,4,5-trimethylpiperazin-1-yl)butanoic acid
SMILESCC1CN(C(CCN)C(=O)O)CC(C)N1C
InChIInChI=1S/C11H23N3O2/c1-8-6-14(7-9(2)13(8)3)10(4-5-12)11(15)16/h8-10H,4-7,12H2,1-3H3,(H,15,16)
InChIKeyVTFIZDPHAZGOLD-UHFFFAOYSA-N
MW229.32 g/mol
LogP-0.19
Rot. Bonds4

About 4-amino-2-(3,4,5-trimethylpiperazin-1-yl)butanoic acid

4-amino-2-(3,4,5-trimethylpiperazin-1-yl)butanoic acid (PubChem CID 114540817) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-amino-2-(3,4,5-trimethylpiperazin-1-yl)butanoic acid.

Molecular Properties

Compound Name4-amino-2-(3,4,5-trimethylpiperazin-1-yl)butanoic acid
PubChem CID114540817
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name4-amino-2-(3,4,5-trimethylpiperazin-1-yl)butanoic acid
SMILESCC1CN(C(CCN)C(=O)O)CC(C)N1C
InChIInChI=1S/C11H23N3O2/c1-8-6-14(7-9(2)13(8)3)10(4-5-12)11(15)16/h8-10H,4-7,12H2,1-3H3,(H,15,16)
InChIKeyVTFIZDPHAZGOLD-UHFFFAOYSA-N
XLogP-0.19
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2-(1,1-dioxo-1,4-thiazinan-4-yl)butanoic acid
CID 64692955
4-amino-2-methyl-1-(3,4,5-trimethylpiperazin-1-yl)butan-1-one
CID 114536787
2-chloro-3-(3,4,5-trimethylpiperazin-1-yl)propanoic acid
CID 114540635
1-phenyl-2-(3,4,5-trimethylpiperazin-1-yl)butan-1-one
CID 114538592
4-amino-2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)butanoic acid
CID 64694618
(2R)-4-amino-2-[4,7-bis(carboxymethyl)-10-(2-nitroso-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoic acid;ethanamine
CID 178131525
(3S,5R)-3,4,5-trimethylpiperazine-1-carboxylic acid
CID 68968098
2-(3-methylazetidin-1-yl)-4-methylsulfonylbutanoic acid
CID 79686709
3-amino-2-(3-methylpyrrolidin-1-yl)propanoic acid
CID 64693345
4-amino-2-(3-phenylpyrrolidin-1-yl)butanoic acid
CID 64693583
4-(3,4,5-trimethylpiperazin-1-yl)pentanehydrazide
CID 114540686
7-amino-1-(3,4,5-trimethylpiperazin-1-yl)heptan-1-one
CID 114536825

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(3,4,5-trimethylpiperazin-1-yl)butanoic acid?
The IUPAC name of 4-amino-2-(3,4,5-trimethylpiperazin-1-yl)butanoic acid (CID 114540817) is 4-amino-2-(3,4,5-trimethylpiperazin-1-yl)butanoic acid.
What is the SMILES notation for 4-amino-2-(3,4,5-trimethylpiperazin-1-yl)butanoic acid?
The canonical SMILES for 4-amino-2-(3,4,5-trimethylpiperazin-1-yl)butanoic acid is CC1CN(C(CCN)C(=O)O)CC(C)N1C.
What is the InChIKey of 4-amino-2-(3,4,5-trimethylpiperazin-1-yl)butanoic acid?
The InChIKey is VTFIZDPHAZGOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-8-6-14(7-9(2)13(8)3)10(4-5-12)11(15)16/h8-10H,4-7,12H2,1-3H3,(H,15,16).
What are the key properties of 4-amino-2-(3,4,5-trimethylpiperazin-1-yl)butanoic acid?
4-amino-2-(3,4,5-trimethylpiperazin-1-yl)butanoic acid has a molecular weight of 229.32 g/mol, XLogP of -0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(3,4,5-trimethylpiperazin-1-yl)butanoic acid is sourced from PubChem (CID 114540817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).