2-[carboxymethyl-(3,4-dimethylpiperazine-1-carbonyl)amino]acetic acid

C11H19N3O5 — CID 63645834

IUPAC2-[carboxymethyl-(3,4-dimethylpiperazine-1-carbonyl)amino]acetic acid
SMILESCC1CN(C(=O)N(CC(=O)O)CC(=O)O)CCN1C
InChIInChI=1S/C11H19N3O5/c1-8-5-13(4-3-12(8)2)11(19)14(6-9(15)16)7-10(17)18/h8H,3-7H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyWEGCXTJVTMQZKC-UHFFFAOYSA-N
MW273.29 g/mol
LogP-0.79
Rot. Bonds4

About 2-[carboxymethyl-(3,4-dimethylpiperazine-1-carbonyl)amino]acetic acid

2-[carboxymethyl-(3,4-dimethylpiperazine-1-carbonyl)amino]acetic acid (PubChem CID 63645834) has the molecular formula C11H19N3O5 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-[carboxymethyl-(3,4-dimethylpiperazine-1-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-(3,4-dimethylpiperazine-1-carbonyl)amino]acetic acid
PubChem CID63645834
Molecular FormulaC11H19N3O5
Molecular Weight273.29 g/mol
Exact Mass273.13
IUPAC Name2-[carboxymethyl-(3,4-dimethylpiperazine-1-carbonyl)amino]acetic acid
SMILESCC1CN(C(=O)N(CC(=O)O)CC(=O)O)CCN1C
InChIInChI=1S/C11H19N3O5/c1-8-5-13(4-3-12(8)2)11(19)14(6-9(15)16)7-10(17)18/h8H,3-7H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyWEGCXTJVTMQZKC-UHFFFAOYSA-N
XLogP-0.79
TPSA101.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3,4-dimethylpiperazine-1-carbonyl)amino]butanoic acid
CID 63605097
2-[carboxymethyl-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]acetic acid
CID 112626900
2-[(2-amino-2-oxoethyl)-(3,4-dimethylpyrrolidine-1-carbonyl)amino]acetic acid
CID 107438970
2-[carboxymethyl-(3-propylpyrrolidine-1-carbonyl)amino]acetic acid
CID 113418333
2-[2-methylpropyl-(3-methylpyrrolidine-1-carbonyl)amino]acetic acid
CID 63064206
(2R)-2-amino-1-(3,4-dimethylpiperazin-1-yl)propan-1-one
CID 63634392
2-[carboxymethyl-[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]acetic acid
CID 107228199
3-chloro-1-(3,4-dimethylpiperazin-1-yl)-2-methylpropan-1-one
CID 63609559
2-[carboxymethyl-(4-methyl-3-oxopiperazine-1-carbonyl)amino]acetic acid
CID 64693480
3-amino-1-(3,4-dimethylpiperazin-1-yl)-2-methylpropan-1-one
CID 63609743
1-[(3S)-3,4-dimethylpiperazin-1-yl]prop-2-en-1-one
CID 155332143
2-[carboxymethyl-(4-methylsulfonylpiperazine-1-carbonyl)amino]acetic acid
CID 63646511

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-(3,4-dimethylpiperazine-1-carbonyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-(3,4-dimethylpiperazine-1-carbonyl)amino]acetic acid (CID 63645834) is 2-[carboxymethyl-(3,4-dimethylpiperazine-1-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-(3,4-dimethylpiperazine-1-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-(3,4-dimethylpiperazine-1-carbonyl)amino]acetic acid is CC1CN(C(=O)N(CC(=O)O)CC(=O)O)CCN1C.
What is the InChIKey of 2-[carboxymethyl-(3,4-dimethylpiperazine-1-carbonyl)amino]acetic acid?
The InChIKey is WEGCXTJVTMQZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O5/c1-8-5-13(4-3-12(8)2)11(19)14(6-9(15)16)7-10(17)18/h8H,3-7H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-[carboxymethyl-(3,4-dimethylpiperazine-1-carbonyl)amino]acetic acid?
2-[carboxymethyl-(3,4-dimethylpiperazine-1-carbonyl)amino]acetic acid has a molecular weight of 273.29 g/mol, XLogP of -0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-(3,4-dimethylpiperazine-1-carbonyl)amino]acetic acid is sourced from PubChem (CID 63645834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).