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

C9H18N4O4 — CID 89108194

IUPAC2-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]ethylamino]acetic acid
SMILESCNC(=O)CNC(=O)CNCCNCC(=O)O
InChIInChI=1S/C9H18N4O4/c1-10-7(14)5-13-8(15)4-11-2-3-12-6-9(16)17/h11-12H,2-6H2,1H3,(H,10,14)(H,13,15)(H,16,17)
InChIKeyNAVOBHWPLBVPLA-UHFFFAOYSA-N
MW246.27 g/mol
LogP-2.89
Rot. Bonds9

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

2-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]ethylamino]acetic acid (PubChem CID 89108194) has the molecular formula C9H18N4O4 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]ethylamino]acetic acid.

Molecular Properties

Compound Name2-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]ethylamino]acetic acid
PubChem CID89108194
Molecular FormulaC9H18N4O4
Molecular Weight246.27 g/mol
Exact Mass246.13
IUPAC Name2-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]ethylamino]acetic acid
SMILESCNC(=O)CNC(=O)CNCCNCC(=O)O
InChIInChI=1S/C9H18N4O4/c1-10-7(14)5-13-8(15)4-11-2-3-12-6-9(16)17/h11-12H,2-6H2,1H3,(H,10,14)(H,13,15)(H,16,17)
InChIKeyNAVOBHWPLBVPLA-UHFFFAOYSA-N
XLogP-2.89
TPSA119.56 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 5-2.89
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[[2-(methylamino)-2-oxoethyl]amino]-5-oxopentanoic acid
CID 43529039
N-[2-(methylamino)-2-oxoethyl]-2-(prop-2-ynylamino)acetamide
CID 78912839
N-methyl-2-(propylamino)acetamide
CID 28586328
ethane;2-formamido-N-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide;molecular hydrogen
CID 169185190
3-[[2-[[2-[[2-(hydroxymethylamino)acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid
CID 147190025
2-[2-(carboxyamino)ethylamino]acetic acid
CID 130335406
N-methyl-4-[[2-(methylamino)-2-oxoethyl]amino]butanamide
CID 63892682
4-[[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]butanoic acid
CID 86108729
2-[carboxymethyl-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]acetic acid
CID 170732928
N-methyl-2-[[2-(methylamino)-2-oxoethyl]carbamoylamino]acetamide
CID 144980882
2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetic acid
CID 43466011
3-[[2-[[2-[[2-[[2-[[2-[[2-[[3-(ethylamino)-3-oxopropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid
CID 175713469

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]ethylamino]acetic acid?
The IUPAC name of 2-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]ethylamino]acetic acid (CID 89108194) is 2-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]ethylamino]acetic acid.
What is the SMILES notation for 2-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]ethylamino]acetic acid?
The canonical SMILES for 2-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]ethylamino]acetic acid is CNC(=O)CNC(=O)CNCCNCC(=O)O.
What is the InChIKey of 2-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]ethylamino]acetic acid?
The InChIKey is NAVOBHWPLBVPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O4/c1-10-7(14)5-13-8(15)4-11-2-3-12-6-9(16)17/h11-12H,2-6H2,1H3,(H,10,14)(H,13,15)(H,16,17).
What are the key properties of 2-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]ethylamino]acetic acid?
2-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]ethylamino]acetic acid has a molecular weight of 246.27 g/mol, XLogP of -2.89, 9 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]ethylamino]acetic acid is sourced from PubChem (CID 89108194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).