2-amino-4-[carboxy-(4-methylpiperazin-1-yl)amino]butanoic acid

C10H20N4O4 — CID 67154957

IUPAC2-amino-4-[carboxy-(4-methylpiperazin-1-yl)amino]butanoic acid
SMILESCN1CCN(N(CCC(N)C(=O)O)C(=O)O)CC1
InChIInChI=1S/C10H20N4O4/c1-12-4-6-13(7-5-12)14(10(17)18)3-2-8(11)9(15)16/h8H,2-7,11H2,1H3,(H,15,16)(H,17,18)
InChIKeyXOQZTGUDDPBBQT-UHFFFAOYSA-N
MW260.29 g/mol
LogP-1.07
Rot. Bonds5

About 2-amino-4-[carboxy-(4-methylpiperazin-1-yl)amino]butanoic acid

2-amino-4-[carboxy-(4-methylpiperazin-1-yl)amino]butanoic acid (PubChem CID 67154957) has the molecular formula C10H20N4O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-amino-4-[carboxy-(4-methylpiperazin-1-yl)amino]butanoic acid.

Molecular Properties

Compound Name2-amino-4-[carboxy-(4-methylpiperazin-1-yl)amino]butanoic acid
PubChem CID67154957
Molecular FormulaC10H20N4O4
Molecular Weight260.29 g/mol
Exact Mass260.15
IUPAC Name2-amino-4-[carboxy-(4-methylpiperazin-1-yl)amino]butanoic acid
SMILESCN1CCN(N(CCC(N)C(=O)O)C(=O)O)CC1
InChIInChI=1S/C10H20N4O4/c1-12-4-6-13(7-5-12)14(10(17)18)3-2-8(11)9(15)16/h8H,2-7,11H2,1H3,(H,15,16)(H,17,18)
InChIKeyXOQZTGUDDPBBQT-UHFFFAOYSA-N
XLogP-1.07
TPSA110.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-3-[carboxy-(4-methylpiperazin-1-yl)amino]propanoic acid
CID 174812533
2-amino-4-[carboxy(piperazin-1-yl)amino]butanoic acid
CID 174670395
(2S)-2-amino-4-[carboxy(morpholin-4-yl)amino]butanoic acid
CID 174670355
(2R)-2-amino-4-[methyl-(1-methylpiperidin-4-yl)amino]butanoic acid
CID 165445053
2-amino-3-(4-methylpiperazin-1-yl)propanoic acid
CID 10611336
2-amino-4-[methyl(2-pyrrolidin-1-ylethyl)amino]butanoic acid
CID 63211113
(2R)-2-amino-3-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]propanoic acid
CID 82891712
2-amino-4-[(4-methylpiperazin-1-yl)sulfonylamino]butanoic acid
CID 70945316
2-amino-4-[methyl(2-methylpropyl)amino]butanoic acid
CID 63028227
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
2-amino-4-[2,2-dimethylpropyl(methyl)amino]butanoic acid
CID 63053244
2-amino-5-(4-methylpiperazin-1-yl)pentanamide
CID 67307542

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[carboxy-(4-methylpiperazin-1-yl)amino]butanoic acid?
The IUPAC name of 2-amino-4-[carboxy-(4-methylpiperazin-1-yl)amino]butanoic acid (CID 67154957) is 2-amino-4-[carboxy-(4-methylpiperazin-1-yl)amino]butanoic acid.
What is the SMILES notation for 2-amino-4-[carboxy-(4-methylpiperazin-1-yl)amino]butanoic acid?
The canonical SMILES for 2-amino-4-[carboxy-(4-methylpiperazin-1-yl)amino]butanoic acid is CN1CCN(N(CCC(N)C(=O)O)C(=O)O)CC1.
What is the InChIKey of 2-amino-4-[carboxy-(4-methylpiperazin-1-yl)amino]butanoic acid?
The InChIKey is XOQZTGUDDPBBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O4/c1-12-4-6-13(7-5-12)14(10(17)18)3-2-8(11)9(15)16/h8H,2-7,11H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-amino-4-[carboxy-(4-methylpiperazin-1-yl)amino]butanoic acid?
2-amino-4-[carboxy-(4-methylpiperazin-1-yl)amino]butanoic acid has a molecular weight of 260.29 g/mol, XLogP of -1.07, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[carboxy-(4-methylpiperazin-1-yl)amino]butanoic acid is sourced from PubChem (CID 67154957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).