2-[2-(aminomethyl)-4-methylpiperazin-1-yl]acetic acid

C8H17N3O2 — CID 80505933

IUPAC2-[2-(aminomethyl)-4-methylpiperazin-1-yl]acetic acid
SMILESCN1CCN(CC(=O)O)C(CN)C1
InChIInChI=1S/C8H17N3O2/c1-10-2-3-11(6-8(12)13)7(4-9)5-10/h7H,2-6,9H2,1H3,(H,12,13)
InChIKeyDFNPFGFBYKYQBR-UHFFFAOYSA-N
MW187.24 g/mol
LogP-1.35
Rot. Bonds3

About 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]acetic acid

2-[2-(aminomethyl)-4-methylpiperazin-1-yl]acetic acid (PubChem CID 80505933) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4-methylpiperazin-1-yl]acetic acid
PubChem CID80505933
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Name2-[2-(aminomethyl)-4-methylpiperazin-1-yl]acetic acid
SMILESCN1CCN(CC(=O)O)C(CN)C1
InChIInChI=1S/C8H17N3O2/c1-10-2-3-11(6-8(12)13)7(4-9)5-10/h7H,2-6,9H2,1H3,(H,12,13)
InChIKeyDFNPFGFBYKYQBR-UHFFFAOYSA-N
XLogP-1.35
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-1.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]acetic acid
CID 83817785
ethyl 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]acetate
CID 80507351
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-tert-butylacetamide
CID 80507212
methyl 3-[2-(aminomethyl)-4-methylpiperazin-1-yl]propanoate
CID 80506811
[1-(2,3-dichloroprop-2-enyl)-4-methylpiperazin-2-yl]methanamine
CID 80506182
2-(aminomethyl)-4-methylpiperazine-1-carboxylic acid
CID 70037623
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-benzylacetamide
CID 80507204
N-[2-[2-(aminomethyl)-4-methylpiperazin-1-yl]ethyl]acetamide
CID 80507319
(4-methyl-1-pentylpiperazin-2-yl)methanamine
CID 80504437
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(2-methylcyclohexyl)acetamide
CID 80505960
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 80507160
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 80506970

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]acetic acid?
The IUPAC name of 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]acetic acid (CID 80505933) is 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]acetic acid?
The canonical SMILES for 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]acetic acid is CN1CCN(CC(=O)O)C(CN)C1.
What is the InChIKey of 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]acetic acid?
The InChIKey is DFNPFGFBYKYQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-10-2-3-11(6-8(12)13)7(4-9)5-10/h7H,2-6,9H2,1H3,(H,12,13).
What are the key properties of 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]acetic acid?
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]acetic acid has a molecular weight of 187.24 g/mol, XLogP of -1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]acetic acid is sourced from PubChem (CID 80505933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).