2-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylpentanoic acid

C14H30N4O2 — CID 64705537

IUPAC2-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylpentanoic acid
SMILESCC(CC(C)(N)C(=O)O)N1CCN(CCN(C)C)CC1
InChIInChI=1S/C14H30N4O2/c1-12(11-14(2,15)13(19)20)18-9-7-17(8-10-18)6-5-16(3)4/h12H,5-11,15H2,1-4H3,(H,19,20)
InChIKeyNJDVZCHHHLVEFF-UHFFFAOYSA-N
MW286.42 g/mol
LogP-0.25
Rot. Bonds7

About 2-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylpentanoic acid

2-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylpentanoic acid (PubChem CID 64705537) has the molecular formula C14H30N4O2 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylpentanoic acid
PubChem CID64705537
Molecular FormulaC14H30N4O2
Molecular Weight286.42 g/mol
Exact Mass286.24
IUPAC Name2-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylpentanoic acid
SMILESCC(CC(C)(N)C(=O)O)N1CCN(CCN(C)C)CC1
InChIInChI=1S/C14H30N4O2/c1-12(11-14(2,15)13(19)20)18-9-7-17(8-10-18)6-5-16(3)4/h12H,5-11,15H2,1-4H3,(H,19,20)
InChIKeyNJDVZCHHHLVEFF-UHFFFAOYSA-N
XLogP-0.25
TPSA73.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-(4-butan-2-ylpiperazin-1-yl)-2-methylpentanoic acid
CID 64703146
1-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylpentan-2-ol
CID 64820717
ethyl 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butanoate
CID 55128136
3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylbutanoic acid
CID 79413725
2-amino-4-(dimethylamino)-2-methylpentanoic acid
CID 64725828
2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4,4-dimethylpentan-1-amine
CID 62951340
3-amino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-methylbutan-1-one
CID 64679136
2-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butanamide
CID 63055069
2-amino-2-methyl-4-(3-methylpiperidin-1-yl)pentanoic acid
CID 64725193
methyl 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]but-3-enoate
CID 114242422
3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylbutan-1-amine
CID 79408430
2-amino-2-methyl-4-pyrrolidin-1-ylpentanamide
CID 64726767

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylpentanoic acid?
The IUPAC name of 2-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylpentanoic acid (CID 64705537) is 2-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylpentanoic acid.
What is the SMILES notation for 2-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylpentanoic acid?
The canonical SMILES for 2-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylpentanoic acid is CC(CC(C)(N)C(=O)O)N1CCN(CCN(C)C)CC1.
What is the InChIKey of 2-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylpentanoic acid?
The InChIKey is NJDVZCHHHLVEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O2/c1-12(11-14(2,15)13(19)20)18-9-7-17(8-10-18)6-5-16(3)4/h12H,5-11,15H2,1-4H3,(H,19,20).
What are the key properties of 2-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylpentanoic acid?
2-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylpentanoic acid has a molecular weight of 286.42 g/mol, XLogP of -0.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylpentanoic acid is sourced from PubChem (CID 64705537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).