2-[ethyl-[methoxy(trityl)amino]amino]acetic acid

C24H26N2O3 — CID 87499338

IUPAC2-[ethyl-[methoxy(trityl)amino]amino]acetic acid
SMILESCCN(CC(=O)O)N(OC)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26N2O3/c1-3-25(19-23(27)28)26(29-2)24(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18H,3,19H2,1-2H3,(H,27,28)
InChIKeyLWSMMQJZKNFBQG-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.16
Rot. Bonds9

About 2-[ethyl-[methoxy(trityl)amino]amino]acetic acid

2-[ethyl-[methoxy(trityl)amino]amino]acetic acid (PubChem CID 87499338) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 2-[ethyl-[methoxy(trityl)amino]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[methoxy(trityl)amino]amino]acetic acid
PubChem CID87499338
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name2-[ethyl-[methoxy(trityl)amino]amino]acetic acid
SMILESCCN(CC(=O)O)N(OC)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26N2O3/c1-3-25(19-23(27)28)26(29-2)24(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18H,3,19H2,1-2H3,(H,27,28)
InChIKeyLWSMMQJZKNFBQG-UHFFFAOYSA-N
XLogP4.16
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[methoxy(trityl)amino]amino]acetic acid?
The IUPAC name of 2-[ethyl-[methoxy(trityl)amino]amino]acetic acid (CID 87499338) is 2-[ethyl-[methoxy(trityl)amino]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[methoxy(trityl)amino]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[methoxy(trityl)amino]amino]acetic acid is CCN(CC(=O)O)N(OC)C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[ethyl-[methoxy(trityl)amino]amino]acetic acid?
The InChIKey is LWSMMQJZKNFBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-3-25(19-23(27)28)26(29-2)24(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18H,3,19H2,1-2H3,(H,27,28).
What are the key properties of 2-[ethyl-[methoxy(trityl)amino]amino]acetic acid?
2-[ethyl-[methoxy(trityl)amino]amino]acetic acid has a molecular weight of 390.48 g/mol, XLogP of 4.16, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[methoxy(trityl)amino]amino]acetic acid is sourced from PubChem (CID 87499338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).