2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-oxo-2-(2-phosphorosooxyethylamino)ethyl]amino]ethyl]amino]acetic acid

C16H27N4O11P — CID 163948609

IUPAC2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-oxo-2-(2-phosphorosooxyethylamino)ethyl]amino]ethyl]amino]acetic acid
SMILESO=POCCNC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O
InChIInChI=1S/C16H27N4O11P/c21-12(17-1-6-31-32-30)7-19(9-14(24)25)4-2-18(8-13(22)23)3-5-20(10-15(26)27)11-16(28)29/h1-11H2,(H,17,21)(H,22,23)(H,24,25)(H,26,27)(H,28,29)
InChIKeyRXIIBYZOBVVUEU-UHFFFAOYSA-N
MW482.38 g/mol
LogP-2.43
Rot. Bonds20

About 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-oxo-2-(2-phosphorosooxyethylamino)ethyl]amino]ethyl]amino]acetic acid

2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-oxo-2-(2-phosphorosooxyethylamino)ethyl]amino]ethyl]amino]acetic acid (PubChem CID 163948609) has the molecular formula C16H27N4O11P and a molecular weight of 482.38 g/mol. Its IUPAC name is 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-oxo-2-(2-phosphorosooxyethylamino)ethyl]amino]ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-oxo-2-(2-phosphorosooxyethylamino)ethyl]amino]ethyl]amino]acetic acid
PubChem CID163948609
Molecular FormulaC16H27N4O11P
Molecular Weight482.38 g/mol
Exact Mass482.14
IUPAC Name2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-oxo-2-(2-phosphorosooxyethylamino)ethyl]amino]ethyl]amino]acetic acid
SMILESO=POCCNC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O
InChIInChI=1S/C16H27N4O11P/c21-12(17-1-6-31-32-30)7-19(9-14(24)25)4-2-18(8-13(22)23)3-5-20(10-15(26)27)11-16(28)29/h1-11H2,(H,17,21)(H,22,23)(H,24,25)(H,26,27)(H,28,29)
InChIKeyRXIIBYZOBVVUEU-UHFFFAOYSA-N
XLogP-2.43
TPSA214.32 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds20
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.38
LogP ≤ 5-2.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-oxo-2-(2-phosphorosooxyethylamino)ethyl]amino]ethyl]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-[bis[2-[[2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]-(carboxymethyl)amino]ethyl]amino]acetic acid
CID 22943944
2-[bis[2-[carboxymethyl-[2-oxo-2-(2-sulfanylethylamino)ethyl]amino]ethyl]amino]acetic acid
CID 5289611
2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-[2-(hydroxyamino)ethylamino]-2-oxoethyl]amino]ethyl]amino]acetic acid
CID 135234416
2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-oxo-2-(2-sulfanylethylamino)ethyl]amino]ethyl]amino]acetic acid
CID 146388911
2-[2-[bis(carboxymethyl)amino]ethyl-[2-(2-butoxyethylamino)-2-oxoethyl]amino]acetic acid
CID 23524479
2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-oxo-2-(3-oxopropylamino)ethyl]amino]ethyl]amino]acetic acid
CID 21305876
2-[2-[carboxymethyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]ethyl-[2-[carboxymethyl-(5-methoxy-2-oxopentyl)amino]ethyl]amino]acetic acid
CID 162305433
2-[bis[2-[carboxymethyl-[2-oxo-2-(3-trimethoxysilylpropylamino)ethyl]amino]ethyl]amino]acetic acid
CID 102089398
2-[2-[carboxymethyl-[2-(hydroxymethylamino)-2-oxoethyl]amino]ethyl-[2-(hydroxymethylamino)-2-oxoethyl]amino]acetic acid
CID 71343143
2-[bis[2-[carboxymethyl-[2-[2-[2-[2-(octadecanoylamino)ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]ethyl]amino]acetic acid
CID 71308393
2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-oxo-2-(tridecylamino)ethyl]amino]ethyl]amino]acetic acid
CID 87241288
2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-[3-[(2R)-2-hydroxypropanoyl]oxypropylamino]-2-oxoethyl]amino]ethyl]amino]acetic acid
CID 154596491

Frequently Asked Questions

What is the IUPAC name of 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-oxo-2-(2-phosphorosooxyethylamino)ethyl]amino]ethyl]amino]acetic acid?
The IUPAC name of 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-oxo-2-(2-phosphorosooxyethylamino)ethyl]amino]ethyl]amino]acetic acid (CID 163948609) is 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-oxo-2-(2-phosphorosooxyethylamino)ethyl]amino]ethyl]amino]acetic acid.
What is the SMILES notation for 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-oxo-2-(2-phosphorosooxyethylamino)ethyl]amino]ethyl]amino]acetic acid?
The canonical SMILES for 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-oxo-2-(2-phosphorosooxyethylamino)ethyl]amino]ethyl]amino]acetic acid is O=POCCNC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-oxo-2-(2-phosphorosooxyethylamino)ethyl]amino]ethyl]amino]acetic acid?
The InChIKey is RXIIBYZOBVVUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N4O11P/c21-12(17-1-6-31-32-30)7-19(9-14(24)25)4-2-18(8-13(22)23)3-5-20(10-15(26)27)11-16(28)29/h1-11H2,(H,17,21)(H,22,23)(H,24,25)(H,26,27)(H,28,29).
What are the key properties of 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-oxo-2-(2-phosphorosooxyethylamino)ethyl]amino]ethyl]amino]acetic acid?
2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-oxo-2-(2-phosphorosooxyethylamino)ethyl]amino]ethyl]amino]acetic acid has a molecular weight of 482.38 g/mol, XLogP of -2.43, 20 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-oxo-2-(2-phosphorosooxyethylamino)ethyl]amino]ethyl]amino]acetic acid is sourced from PubChem (CID 163948609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).