2-[(6-amino-6-oxo-5,5-diphenylhexyl)-(carboxymethyl)amino]acetic acid

C22H26N2O5 — CID 20556762

IUPAC2-[(6-amino-6-oxo-5,5-diphenylhexyl)-(carboxymethyl)amino]acetic acid
SMILESNC(=O)C(CCCCN(CC(=O)O)CC(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H26N2O5/c23-21(29)22(17-9-3-1-4-10-17,18-11-5-2-6-12-18)13-7-8-14-24(15-19(25)26)16-20(27)28/h1-6,9-12H,7-8,13-16H2,(H2,23,29)(H,25,26)(H,27,28)
InChIKeyXTNICNMZRSNCSG-UHFFFAOYSA-N
MW398.46 g/mol
LogP2.10
Rot. Bonds12

About 2-[(6-amino-6-oxo-5,5-diphenylhexyl)-(carboxymethyl)amino]acetic acid

2-[(6-amino-6-oxo-5,5-diphenylhexyl)-(carboxymethyl)amino]acetic acid (PubChem CID 20556762) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is 2-[(6-amino-6-oxo-5,5-diphenylhexyl)-(carboxymethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(6-amino-6-oxo-5,5-diphenylhexyl)-(carboxymethyl)amino]acetic acid
PubChem CID20556762
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC Name2-[(6-amino-6-oxo-5,5-diphenylhexyl)-(carboxymethyl)amino]acetic acid
SMILESNC(=O)C(CCCCN(CC(=O)O)CC(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H26N2O5/c23-21(29)22(17-9-3-1-4-10-17,18-11-5-2-6-12-18)13-7-8-14-24(15-19(25)26)16-20(27)28/h1-6,9-12H,7-8,13-16H2,(H2,23,29)(H,25,26)(H,27,28)
InChIKeyXTNICNMZRSNCSG-UHFFFAOYSA-N
XLogP2.10
TPSA120.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-amino-5-oxo-4,4-diphenylpentyl)-(carboxymethyl)amino]acetic acid
CID 20556756
2,2-diphenylhexanamide;hydrochloride
CID 142429226
6-[(5-carboxy-5,5-diphenylpentyl)-[2-(dimethylamino)ethyl]amino]-2,2-diphenylhexanoic acid
CID 170636634
4-[methyl(3-phenylpropyl)amino]-2,2-diphenylbutanamide
CID 19088491
2-(4-methylphenyl)-2-phenylhexanamide;hydrochloride
CID 142429224
(9Z,12Z)-2,2-diphenyloctadeca-9,12-dienamide
CID 122703905
(4-amino-4-oxo-3,3-diphenylbutyl)-ethyl-dimethylazanium
CID 8277
5-methyl-2,2-diphenylhexanamide;hydrochloride
CID 175870176
2-[carboxymethyl(3-phenoxypropyl)amino]acetic acid
CID 63644970
2,2-bis(4-anilinophenyl)hexanediamide
CID 174828822
5-[2-(4-methoxyphenyl)ethyl-methylamino]-2,2-diphenylpentanamide
CID 19088507
6-oxo-5,5-diphenyloctanoic acid
CID 19981505

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-6-oxo-5,5-diphenylhexyl)-(carboxymethyl)amino]acetic acid?
The IUPAC name of 2-[(6-amino-6-oxo-5,5-diphenylhexyl)-(carboxymethyl)amino]acetic acid (CID 20556762) is 2-[(6-amino-6-oxo-5,5-diphenylhexyl)-(carboxymethyl)amino]acetic acid.
What is the SMILES notation for 2-[(6-amino-6-oxo-5,5-diphenylhexyl)-(carboxymethyl)amino]acetic acid?
The canonical SMILES for 2-[(6-amino-6-oxo-5,5-diphenylhexyl)-(carboxymethyl)amino]acetic acid is NC(=O)C(CCCCN(CC(=O)O)CC(=O)O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[(6-amino-6-oxo-5,5-diphenylhexyl)-(carboxymethyl)amino]acetic acid?
The InChIKey is XTNICNMZRSNCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5/c23-21(29)22(17-9-3-1-4-10-17,18-11-5-2-6-12-18)13-7-8-14-24(15-19(25)26)16-20(27)28/h1-6,9-12H,7-8,13-16H2,(H2,23,29)(H,25,26)(H,27,28).
What are the key properties of 2-[(6-amino-6-oxo-5,5-diphenylhexyl)-(carboxymethyl)amino]acetic acid?
2-[(6-amino-6-oxo-5,5-diphenylhexyl)-(carboxymethyl)amino]acetic acid has a molecular weight of 398.46 g/mol, XLogP of 2.10, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-6-oxo-5,5-diphenylhexyl)-(carboxymethyl)amino]acetic acid is sourced from PubChem (CID 20556762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).