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

C12H22N4O6 — CID 23422364

IUPAC2-[(2-amino-2-oxoethyl)-[2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]butyl]amino]acetic acid
SMILESCCC(CN(CC(N)=O)CC(=O)O)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C12H22N4O6/c1-2-8(16(5-10(14)18)7-12(21)22)3-15(4-9(13)17)6-11(19)20/h8H,2-7H2,1H3,(H2,13,17)(H2,14,18)(H,19,20)(H,21,22)
InChIKeyMVJOALNKXHPFGH-UHFFFAOYSA-N
MW318.33 g/mol
LogP-2.49
Rot. Bonds12

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

2-[(2-amino-2-oxoethyl)-[2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]butyl]amino]acetic acid (PubChem CID 23422364) has the molecular formula C12H22N4O6 and a molecular weight of 318.33 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]butyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]butyl]amino]acetic acid
PubChem CID23422364
Molecular FormulaC12H22N4O6
Molecular Weight318.33 g/mol
Exact Mass318.15
IUPAC Name2-[(2-amino-2-oxoethyl)-[2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]butyl]amino]acetic acid
SMILESCCC(CN(CC(N)=O)CC(=O)O)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C12H22N4O6/c1-2-8(16(5-10(14)18)7-12(21)22)3-15(4-9(13)17)6-11(19)20/h8H,2-7H2,1H3,(H2,13,17)(H2,14,18)(H,19,20)(H,21,22)
InChIKeyMVJOALNKXHPFGH-UHFFFAOYSA-N
XLogP-2.49
TPSA167.26 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 5-2.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[(2-amino-2-oxoethyl)-[2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]butyl]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-[carboxymethyl(heptan-3-yl)amino]acetic acid
CID 65065837
2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]propanoic acid
CID 122536186
4-[(2-amino-2-oxoethyl)-ethylamino]-3-hydroxybutanoic acid
CID 103102939
2-[2-[(2-amino-2-oxoethyl)-butylamino]ethyl-[2-[(2-amino-2-oxoethyl)-propylamino]ethyl]amino]acetic acid
CID 153111880
2-[2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]ethyl-[2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]-3-(4-isothiocyanatophenyl)propyl]amino]acetic acid;europium
CID 25000579
2-[ethyl-(3-methyl-2-oxopentyl)amino]acetamide
CID 103103137
ethyl 3-[bis(2-amino-2-oxoethyl)amino]-2-methylpropanoate
CID 62922969
2-[2-[bis(carboxymethyl)amino]ethyl-[2-[bis(carboxymethyl)amino]-5-methylhexyl]amino]acetic acid
CID 134372222
2-[2-[bis(carboxymethyl)amino]propyl-(carboxymethyl)amino]acetic acid;dichlororuthenium;hydrate
CID 50897255
2-[(3-amino-3-oxopropyl)-butan-2-ylamino]acetic acid
CID 60833263
2-[(2-amino-2-oxoethyl)-(1-cyanoethyl)amino]acetic acid
CID 107440314
2-[ethyl(2-methylpropyl)amino]acetic acid
CID 43273893

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-[2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]butyl]amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]butyl]amino]acetic acid (CID 23422364) is 2-[(2-amino-2-oxoethyl)-[2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]butyl]amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]butyl]amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]butyl]amino]acetic acid is CCC(CN(CC(N)=O)CC(=O)O)N(CC(N)=O)CC(=O)O.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]butyl]amino]acetic acid?
The InChIKey is MVJOALNKXHPFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O6/c1-2-8(16(5-10(14)18)7-12(21)22)3-15(4-9(13)17)6-11(19)20/h8H,2-7H2,1H3,(H2,13,17)(H2,14,18)(H,19,20)(H,21,22).
What are the key properties of 2-[(2-amino-2-oxoethyl)-[2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]butyl]amino]acetic acid?
2-[(2-amino-2-oxoethyl)-[2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]butyl]amino]acetic acid has a molecular weight of 318.33 g/mol, XLogP of -2.49, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-[2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]butyl]amino]acetic acid is sourced from PubChem (CID 23422364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).