2-[carboxymethyl-[2-(3-hydroxy-3,6,10-trioxo-1,2,4,5,8,3λ5-tetraoxazaphosphecan-8-yl)ethyl]amino]acetic acid

C10H15N2O12P — CID 141150344

IUPAC2-[carboxymethyl-[2-(3-hydroxy-3,6,10-trioxo-1,2,4,5,8,3λ5-tetraoxazaphosphecan-8-yl)ethyl]amino]acetic acid
SMILESO=C(O)CN(CCN1CC(=O)OOP(=O)(O)OOC(=O)C1)CC(=O)O
InChIInChI=1S/C10H15N2O12P/c13-7(14)3-11(4-8(15)16)1-2-12-5-9(17)21-23-25(19,20)24-22-10(18)6-12/h1-6H2,(H,13,14)(H,15,16)(H,19,20)
InChIKeyQGFVZULVEHSCTD-UHFFFAOYSA-N
MW386.21 g/mol
LogP-2.18
Rot. Bonds7

About 2-[carboxymethyl-[2-(3-hydroxy-3,6,10-trioxo-1,2,4,5,8,3λ5-tetraoxazaphosphecan-8-yl)ethyl]amino]acetic acid

2-[carboxymethyl-[2-(3-hydroxy-3,6,10-trioxo-1,2,4,5,8,3λ5-tetraoxazaphosphecan-8-yl)ethyl]amino]acetic acid (PubChem CID 141150344) has the molecular formula C10H15N2O12P and a molecular weight of 386.21 g/mol. Its IUPAC name is 2-[carboxymethyl-[2-(3-hydroxy-3,6,10-trioxo-1,2,4,5,8,3λ5-tetraoxazaphosphecan-8-yl)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[2-(3-hydroxy-3,6,10-trioxo-1,2,4,5,8,3λ5-tetraoxazaphosphecan-8-yl)ethyl]amino]acetic acid
PubChem CID141150344
Molecular FormulaC10H15N2O12P
Molecular Weight386.21 g/mol
Exact Mass386.04
IUPAC Name2-[carboxymethyl-[2-(3-hydroxy-3,6,10-trioxo-1,2,4,5,8,3λ5-tetraoxazaphosphecan-8-yl)ethyl]amino]acetic acid
SMILESO=C(O)CN(CCN1CC(=O)OOP(=O)(O)OOC(=O)C1)CC(=O)O
InChIInChI=1S/C10H15N2O12P/c13-7(14)3-11(4-8(15)16)1-2-12-5-9(17)21-23-25(19,20)24-22-10(18)6-12/h1-6H2,(H,13,14)(H,15,16)(H,19,20)
InChIKeyQGFVZULVEHSCTD-UHFFFAOYSA-N
XLogP-2.18
TPSA189.44 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.21
LogP ≤ 5-2.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 2-[carboxymethyl-[2-(3-hydroxy-3,6,10-trioxo-1,2,4,5,8,3λ5-tetraoxazaphosphecan-8-yl)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-[carboxymethyl-[2-(2,2,3-trichloro-5,9-dioxo-1,4,7-dioxazonan-7-yl)ethyl]amino]acetic acid
CID 91213667
2-[[2-(2,6-dioxomorpholin-4-yl)cyclohexyl]-[2-(2,6-dioxomorpholin-4-yl)ethyl]amino]acetic acid
CID 163276128
2-[4,7,10-tris[2-[bis(carboxymethyl)amino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 118005296
2-[bis[2-[carboxylatomethyl(2-oxopropyl)amino]ethyl]amino]acetate;2-[bis[2-[carboxymethyl(2-oxopropyl)amino]ethyl]amino]acetic acid;2-[bis[2-(2,6-dioxomorpholin-4-yl)ethyl]amino]acetic acid;methane;octa-1,2,3,4,5,6,7-heptaene
CID 159159144
2-[2-[[2-(3-acetylanilino)-2-oxoethyl]-(carboxymethyl)amino]ethyl-[2-(2,6-dioxomorpholin-4-yl)ethyl]amino]acetic acid
CID 20728705
2-[2-[4-[2-[bis(carboxymethyl)amino]ethyl]-7-[2-[carboxymethyl(methyl)amino]ethyl]-1,4,7-triazonan-1-yl]ethyl-methylamino]acetic acid
CID 122492628
2-[2-bromoethyl(carboxymethyl)amino]acetic acid
CID 23228094
2-[2-[[2-[2-[[2-[2-[bis(carboxymethyl)amino]ethyl-[2-oxo-2-[2-(propan-2-ylamino)ethylamino]ethyl]amino]acetyl]amino]ethylamino]-2-oxoethyl]-(3-methyl-2-oxobutyl)amino]ethyl-(carboxymethyl)amino]acetic acid;2-[2-(2,6-dioxomorpholin-4-yl)ethyl-(3-methyl-2-oxobutyl)amino]-N-[2-[[2-[2-(2,6-dioxomorpholin-4-yl)ethyl-[2-oxo-2-[2-(propan-2-ylamino)ethylamino]ethyl]amino]acetyl]amino]ethyl]acetamide;4-[2-(2,6-dioxomorpholin-4-yl)ethyl]morpholine-2,6-dione;ethane-1,2-diamine;hydrogen peroxide
CID 161170877
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;yttrium(3+)
CID 23618997
dilithium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
CID 10149598
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;chromium(2+)
CID 21278558
CID 131881711
CID 131881711

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[2-(3-hydroxy-3,6,10-trioxo-1,2,4,5,8,3λ5-tetraoxazaphosphecan-8-yl)ethyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[2-(3-hydroxy-3,6,10-trioxo-1,2,4,5,8,3λ5-tetraoxazaphosphecan-8-yl)ethyl]amino]acetic acid (CID 141150344) is 2-[carboxymethyl-[2-(3-hydroxy-3,6,10-trioxo-1,2,4,5,8,3λ5-tetraoxazaphosphecan-8-yl)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[2-(3-hydroxy-3,6,10-trioxo-1,2,4,5,8,3λ5-tetraoxazaphosphecan-8-yl)ethyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[2-(3-hydroxy-3,6,10-trioxo-1,2,4,5,8,3λ5-tetraoxazaphosphecan-8-yl)ethyl]amino]acetic acid is O=C(O)CN(CCN1CC(=O)OOP(=O)(O)OOC(=O)C1)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl-[2-(3-hydroxy-3,6,10-trioxo-1,2,4,5,8,3λ5-tetraoxazaphosphecan-8-yl)ethyl]amino]acetic acid?
The InChIKey is QGFVZULVEHSCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N2O12P/c13-7(14)3-11(4-8(15)16)1-2-12-5-9(17)21-23-25(19,20)24-22-10(18)6-12/h1-6H2,(H,13,14)(H,15,16)(H,19,20).
What are the key properties of 2-[carboxymethyl-[2-(3-hydroxy-3,6,10-trioxo-1,2,4,5,8,3λ5-tetraoxazaphosphecan-8-yl)ethyl]amino]acetic acid?
2-[carboxymethyl-[2-(3-hydroxy-3,6,10-trioxo-1,2,4,5,8,3λ5-tetraoxazaphosphecan-8-yl)ethyl]amino]acetic acid has a molecular weight of 386.21 g/mol, XLogP of -2.18, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[2-(3-hydroxy-3,6,10-trioxo-1,2,4,5,8,3λ5-tetraoxazaphosphecan-8-yl)ethyl]amino]acetic acid is sourced from PubChem (CID 141150344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).