2-[[2-[[2-[[2-[bis(carboxymethyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid

C12H18N4O9 — CID 23422762

IUPAC2-[[2-[[2-[[2-[bis(carboxymethyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)CNC(=O)CN(CC(=O)O)CC(=O)O
InChIInChI=1S/C12H18N4O9/c17-7(13-1-8(18)15-3-10(20)21)2-14-9(19)4-16(5-11(22)23)6-12(24)25/h1-6H2,(H,13,17)(H,14,19)(H,15,18)(H,20,21)(H,22,23)(H,24,25)
InChIKeyAJEMDBGXTDRIEP-UHFFFAOYSA-N
MW362.30 g/mol
LogP-4.11
Rot. Bonds12

About 2-[[2-[[2-[[2-[bis(carboxymethyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid

2-[[2-[[2-[[2-[bis(carboxymethyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid (PubChem CID 23422762) has the molecular formula C12H18N4O9 and a molecular weight of 362.30 g/mol. Its IUPAC name is 2-[[2-[[2-[[2-[bis(carboxymethyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[[2-[[2-[bis(carboxymethyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
PubChem CID23422762
Molecular FormulaC12H18N4O9
Molecular Weight362.30 g/mol
Exact Mass362.11
IUPAC Name2-[[2-[[2-[[2-[bis(carboxymethyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)CNC(=O)CN(CC(=O)O)CC(=O)O
InChIInChI=1S/C12H18N4O9/c17-7(13-1-8(18)15-3-10(20)21)2-14-9(19)4-16(5-11(22)23)6-12(24)25/h1-6H2,(H,13,17)(H,14,19)(H,15,18)(H,20,21)(H,22,23)(H,24,25)
InChIKeyAJEMDBGXTDRIEP-UHFFFAOYSA-N
XLogP-4.11
TPSA202.44 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.30
LogP ≤ 5-4.11
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Analyze 2-[[2-[[2-[[2-[bis(carboxymethyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-[[2-[bis(carboxymethyl)amino]acetyl]amino]acetyl]amino]acetic acid
CID 23422761
2-[carboxymethyl-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]acetic acid
CID 170732928
2-[2-[carboxymethyl-[2-(hydroxymethylamino)-2-oxoethyl]amino]ethyl-[2-(hydroxymethylamino)-2-oxoethyl]amino]acetic acid
CID 71343143
2-[2-[bis(carboxymethyl)amino]ethyl-[2-oxo-2-(2-oxopropylamino)ethyl]amino]acetic acid;iron(2+)
CID 59081063
2-[bis(carboxymethyl)amino]acetic acid
CID 22440005
2-[[2-(diacetylamino)acetyl]amino]acetic acid
CID 87300850
2-[bis(carboxymethyl)amino]acetic acid;cerium
CID 88686592
CID 160559897
CID 160559897
CID 23617736
CID 23617736
bis(2-[bis(carboxymethyl)amino]acetic acid);sulfane
CID 87731380
2-[[2-(hydroxyamino)acetyl]amino]acetic acid
CID 118448410
azanium;2-[bis(carboxymethyl)amino]acetic acid;manganese
CID 71301305

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-[[2-[bis(carboxymethyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[[2-[[2-[bis(carboxymethyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid (CID 23422762) is 2-[[2-[[2-[[2-[bis(carboxymethyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[[2-[[2-[bis(carboxymethyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[[2-[[2-[bis(carboxymethyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid is O=C(O)CNC(=O)CNC(=O)CNC(=O)CN(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[[2-[[2-[[2-[bis(carboxymethyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid?
The InChIKey is AJEMDBGXTDRIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O9/c17-7(13-1-8(18)15-3-10(20)21)2-14-9(19)4-16(5-11(22)23)6-12(24)25/h1-6H2,(H,13,17)(H,14,19)(H,15,18)(H,20,21)(H,22,23)(H,24,25).
What are the key properties of 2-[[2-[[2-[[2-[bis(carboxymethyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid?
2-[[2-[[2-[[2-[bis(carboxymethyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid has a molecular weight of 362.30 g/mol, XLogP of -4.11, 12 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-[[2-[bis(carboxymethyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid is sourced from PubChem (CID 23422762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).