2-[2-[carboxymethyl(2-oxopropyl)amino]ethylamino]acetic acid

C9H16N2O5 — CID 89065642

IUPAC2-[2-[carboxymethyl(2-oxopropyl)amino]ethylamino]acetic acid
SMILESCC(=O)CN(CCNCC(=O)O)CC(=O)O
InChIInChI=1S/C9H16N2O5/c1-7(12)5-11(6-9(15)16)3-2-10-4-8(13)14/h10H,2-6H2,1H3,(H,13,14)(H,15,16)
InChIKeyDQMGBDTVPBCFNY-UHFFFAOYSA-N
MW232.24 g/mol
LogP-1.36
Rot. Bonds9

About 2-[2-[carboxymethyl(2-oxopropyl)amino]ethylamino]acetic acid

2-[2-[carboxymethyl(2-oxopropyl)amino]ethylamino]acetic acid (PubChem CID 89065642) has the molecular formula C9H16N2O5 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-[2-[carboxymethyl(2-oxopropyl)amino]ethylamino]acetic acid.

Molecular Properties

Compound Name2-[2-[carboxymethyl(2-oxopropyl)amino]ethylamino]acetic acid
PubChem CID89065642
Molecular FormulaC9H16N2O5
Molecular Weight232.24 g/mol
Exact Mass232.11
IUPAC Name2-[2-[carboxymethyl(2-oxopropyl)amino]ethylamino]acetic acid
SMILESCC(=O)CN(CCNCC(=O)O)CC(=O)O
InChIInChI=1S/C9H16N2O5/c1-7(12)5-11(6-9(15)16)3-2-10-4-8(13)14/h10H,2-6H2,1H3,(H,13,14)(H,15,16)
InChIKeyDQMGBDTVPBCFNY-UHFFFAOYSA-N
XLogP-1.36
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 5-1.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[bis(carboxymethyl)amino]ethylamino]acetic acid;copper
CID 155766345
2-[2-[carboxymethyl(propyl)amino]ethylamino]acetic acid
CID 143929196
2-[2-[carboxymethyl-[2-[carboxymethyl(ethyl)amino]ethyl]amino]ethylamino]acetic acid
CID 89045001
2-[2-[2-[carboxymethyl-[2-(carboxymethylamino)ethyl]amino]ethyl-(2-methylpropyl)amino]ethylamino]acetic acid
CID 163563898
sodium;2-[2-[bis(2-oxopropyl)amino]ethyl-(carboxymethyl)amino]acetic acid;iron(2+)
CID 25052150
2-[(2-methoxy-2-oxoethyl)-[2-[(2-methoxy-2-oxoethyl)amino]ethyl]amino]acetic acid
CID 23196993
2-[2-[carboxymethyl-[2-(carboxymethylamino)ethyl]amino]ethylamino]-5-oxohexanoic acid
CID 174336280
2-[2-[2-[tert-butyl-[2-(carboxymethylamino)ethyl]amino]ethyl-(carboxymethyl)amino]ethylamino]acetic acid
CID 163915904
2-[2-[2-[carboxymethyl-[2-(carboxymethylamino)ethyl]amino]ethyl-(2,2-dihydroxyethyl)amino]ethylamino]acetic acid
CID 163564559
3-[2-[2-[carboxymethyl-[2-(carboxymethylamino)ethyl]amino]ethyl-ethylamino]ethyl-propylamino]propanoic acid
CID 130195991
2-[2-acetamidoethyl(carboxymethyl)amino]acetic acid;formic acid
CID 91527468
2-[ethyl-[2-[ethyl(2-oxopropyl)amino]ethyl]amino]acetic acid
CID 134601961

Frequently Asked Questions

What is the IUPAC name of 2-[2-[carboxymethyl(2-oxopropyl)amino]ethylamino]acetic acid?
The IUPAC name of 2-[2-[carboxymethyl(2-oxopropyl)amino]ethylamino]acetic acid (CID 89065642) is 2-[2-[carboxymethyl(2-oxopropyl)amino]ethylamino]acetic acid.
What is the SMILES notation for 2-[2-[carboxymethyl(2-oxopropyl)amino]ethylamino]acetic acid?
The canonical SMILES for 2-[2-[carboxymethyl(2-oxopropyl)amino]ethylamino]acetic acid is CC(=O)CN(CCNCC(=O)O)CC(=O)O.
What is the InChIKey of 2-[2-[carboxymethyl(2-oxopropyl)amino]ethylamino]acetic acid?
The InChIKey is DQMGBDTVPBCFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O5/c1-7(12)5-11(6-9(15)16)3-2-10-4-8(13)14/h10H,2-6H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-[2-[carboxymethyl(2-oxopropyl)amino]ethylamino]acetic acid?
2-[2-[carboxymethyl(2-oxopropyl)amino]ethylamino]acetic acid has a molecular weight of 232.24 g/mol, XLogP of -1.36, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[carboxymethyl(2-oxopropyl)amino]ethylamino]acetic acid is sourced from PubChem (CID 89065642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).