2-[carboxymethyl-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]acetic acid

C9H15N3O6 — CID 170732928

IUPAC2-[carboxymethyl-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]acetic acid
SMILESCNC(=O)CNC(=O)CN(CC(=O)O)CC(=O)O
InChIInChI=1S/C9H15N3O6/c1-10-6(13)2-11-7(14)3-12(4-8(15)16)5-9(17)18/h2-5H2,1H3,(H,10,13)(H,11,14)(H,15,16)(H,17,18)
InChIKeyBIVSOCGJOXFKIH-UHFFFAOYSA-N
MW261.23 g/mol
LogP-2.68
Rot. Bonds8

About 2-[carboxymethyl-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]acetic acid

2-[carboxymethyl-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]acetic acid (PubChem CID 170732928) has the molecular formula C9H15N3O6 and a molecular weight of 261.23 g/mol. Its IUPAC name is 2-[carboxymethyl-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]acetic acid
PubChem CID170732928
Molecular FormulaC9H15N3O6
Molecular Weight261.23 g/mol
Exact Mass261.10
IUPAC Name2-[carboxymethyl-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]acetic acid
SMILESCNC(=O)CNC(=O)CN(CC(=O)O)CC(=O)O
InChIInChI=1S/C9H15N3O6/c1-10-6(13)2-11-7(14)3-12(4-8(15)16)5-9(17)18/h2-5H2,1H3,(H,10,13)(H,11,14)(H,15,16)(H,17,18)
InChIKeyBIVSOCGJOXFKIH-UHFFFAOYSA-N
XLogP-2.68
TPSA136.04 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 5-2.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[[2-[[2-[bis(carboxymethyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
CID 23422762
2-[[2-[[2-[bis(carboxymethyl)amino]acetyl]amino]acetyl]amino]acetic acid
CID 23422761
2-[carboxymethyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetic acid
CID 63646632
2-[2-[bis(carboxymethyl)amino]ethyl-[2-oxo-2-(2-oxopropylamino)ethyl]amino]acetic acid;iron(2+)
CID 59081063
2-[2-[carboxymethyl-[2-(hydroxymethylamino)-2-oxoethyl]amino]ethyl-[2-(hydroxymethylamino)-2-oxoethyl]amino]acetic acid
CID 71343143
5-[[2-(methylamino)-2-oxoethyl]amino]-5-oxopentanoic acid
CID 43529039
2-[bis(carboxymethyl)amino]acetic acid
CID 22440005
2-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]ethylamino]acetic acid
CID 89108194
N-methyl-2-[[2-(methylamino)-2-oxoethyl]carbamoylamino]acetamide
CID 144980882
2-[bis(carboxymethyl)amino]acetic acid;N,N-dimethylmethanamine
CID 88838366
N-methyl-2-[[2-(methylamino)-2-oxoethyl]-(2-oxopropyl)amino]acetamide
CID 163933463
2-[carboxymethyl-[2-(methoxyamino)-2-oxoethyl]amino]acetic acid;ethane
CID 153337415

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]acetic acid (CID 170732928) is 2-[carboxymethyl-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]acetic acid is CNC(=O)CNC(=O)CN(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]acetic acid?
The InChIKey is BIVSOCGJOXFKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O6/c1-10-6(13)2-11-7(14)3-12(4-8(15)16)5-9(17)18/h2-5H2,1H3,(H,10,13)(H,11,14)(H,15,16)(H,17,18).
What are the key properties of 2-[carboxymethyl-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]acetic acid?
2-[carboxymethyl-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]acetic acid has a molecular weight of 261.23 g/mol, XLogP of -2.68, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 170732928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).