2-[2-acetamidoethyl(carboxymethyl)amino]acetic acid;formic acid

C9H16N2O7 — CID 91527468

IUPAC2-[2-acetamidoethyl(carboxymethyl)amino]acetic acid;formic acid
SMILESCC(=O)NCCN(CC(=O)O)CC(=O)O.O=CO
InChIInChI=1S/C8H14N2O5.CH2O2/c1-6(11)9-2-3-10(4-7(12)13)5-8(14)15;2-1-3/h2-5H2,1H3,(H,9,11)(H,12,13)(H,14,15);1H,(H,2,3)
InChIKeyOIOJMDBDBBOALZ-UHFFFAOYSA-N
MW264.23 g/mol
LogP-1.71
Rot. Bonds7

About 2-[2-acetamidoethyl(carboxymethyl)amino]acetic acid;formic acid

2-[2-acetamidoethyl(carboxymethyl)amino]acetic acid;formic acid (PubChem CID 91527468) has the molecular formula C9H16N2O7 and a molecular weight of 264.23 g/mol. Its IUPAC name is 2-[2-acetamidoethyl(carboxymethyl)amino]acetic acid;formic acid.

Molecular Properties

Compound Name2-[2-acetamidoethyl(carboxymethyl)amino]acetic acid;formic acid
PubChem CID91527468
Molecular FormulaC9H16N2O7
Molecular Weight264.23 g/mol
Exact Mass264.10
IUPAC Name2-[2-acetamidoethyl(carboxymethyl)amino]acetic acid;formic acid
SMILESCC(=O)NCCN(CC(=O)O)CC(=O)O.O=CO
InChIInChI=1S/C8H14N2O5.CH2O2/c1-6(11)9-2-3-10(4-7(12)13)5-8(14)15;2-1-3/h2-5H2,1H3,(H,9,11)(H,12,13)(H,14,15);1H,(H,2,3)
InChIKeyOIOJMDBDBBOALZ-UHFFFAOYSA-N
XLogP-1.71
TPSA144.24 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 5-1.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[bis(2-acetamidoethyl)amino]ethyl]acetamide
CID 14382083
2-[2-[carboxymethyl(2-oxopropyl)amino]ethylamino]acetic acid
CID 89065642
3-[2-acetamidoethyl-[2-(methylamino)-2-oxoethyl]amino]propanoic acid
CID 82330021
2-[bis[2-[[2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]-(carboxymethyl)amino]ethyl]amino]acetic acid
CID 22943944
2-[carboxymethyl-[2-(ethoxycarbonylamino)ethyl]amino]acetic acid
CID 23422765
2-[2-[bis(carboxymethyl)amino]ethylamino]acetic acid;copper
CID 155766345
2-[2-acetamidoethyl(hydroxymethyl)amino]acetate
CID 20708503
2-[2-acetamidoethyl(butan-2-yl)amino]acetic acid
CID 60832957
3-[2-acetamidoethyl(2-methylpropyl)amino]propanoic acid
CID 82328942
N-[2-(dimethylamino)ethyl]acetamide;ethane;molecular hydrogen
CID 156646595
2-[2-[2-[bis(carboxymethyl)amino]ethyl-(2-oxoethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;ethane
CID 164569892
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;palladium
CID 87646403

Frequently Asked Questions

What is the IUPAC name of 2-[2-acetamidoethyl(carboxymethyl)amino]acetic acid;formic acid?
The IUPAC name of 2-[2-acetamidoethyl(carboxymethyl)amino]acetic acid;formic acid (CID 91527468) is 2-[2-acetamidoethyl(carboxymethyl)amino]acetic acid;formic acid.
What is the SMILES notation for 2-[2-acetamidoethyl(carboxymethyl)amino]acetic acid;formic acid?
The canonical SMILES for 2-[2-acetamidoethyl(carboxymethyl)amino]acetic acid;formic acid is CC(=O)NCCN(CC(=O)O)CC(=O)O.O=CO.
What is the InChIKey of 2-[2-acetamidoethyl(carboxymethyl)amino]acetic acid;formic acid?
The InChIKey is OIOJMDBDBBOALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O5.CH2O2/c1-6(11)9-2-3-10(4-7(12)13)5-8(14)15;2-1-3/h2-5H2,1H3,(H,9,11)(H,12,13)(H,14,15);1H,(H,2,3).
What are the key properties of 2-[2-acetamidoethyl(carboxymethyl)amino]acetic acid;formic acid?
2-[2-acetamidoethyl(carboxymethyl)amino]acetic acid;formic acid has a molecular weight of 264.23 g/mol, XLogP of -1.71, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-acetamidoethyl(carboxymethyl)amino]acetic acid;formic acid is sourced from PubChem (CID 91527468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).