2-[(5-amino-5-oxo-4,4-diphenylpentyl)-(carboxymethyl)amino]acetic acid

C21H24N2O5 — CID 20556756

IUPAC2-[(5-amino-5-oxo-4,4-diphenylpentyl)-(carboxymethyl)amino]acetic acid
SMILESNC(=O)C(CCCN(CC(=O)O)CC(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H24N2O5/c22-20(28)21(16-8-3-1-4-9-16,17-10-5-2-6-11-17)12-7-13-23(14-18(24)25)15-19(26)27/h1-6,8-11H,7,12-15H2,(H2,22,28)(H,24,25)(H,26,27)
InChIKeyUTPTYKMSMVZHGQ-UHFFFAOYSA-N
MW384.43 g/mol
LogP1.71
Rot. Bonds11

About 2-[(5-amino-5-oxo-4,4-diphenylpentyl)-(carboxymethyl)amino]acetic acid

2-[(5-amino-5-oxo-4,4-diphenylpentyl)-(carboxymethyl)amino]acetic acid (PubChem CID 20556756) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is 2-[(5-amino-5-oxo-4,4-diphenylpentyl)-(carboxymethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-amino-5-oxo-4,4-diphenylpentyl)-(carboxymethyl)amino]acetic acid
PubChem CID20556756
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name2-[(5-amino-5-oxo-4,4-diphenylpentyl)-(carboxymethyl)amino]acetic acid
SMILESNC(=O)C(CCCN(CC(=O)O)CC(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H24N2O5/c22-20(28)21(16-8-3-1-4-9-16,17-10-5-2-6-11-17)12-7-13-23(14-18(24)25)15-19(26)27/h1-6,8-11H,7,12-15H2,(H2,22,28)(H,24,25)(H,26,27)
InChIKeyUTPTYKMSMVZHGQ-UHFFFAOYSA-N
XLogP1.71
TPSA120.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-amino-6-oxo-5,5-diphenylhexyl)-(carboxymethyl)amino]acetic acid
CID 20556762
2,2-diphenylhexanamide;hydrochloride
CID 142429226
4-[methyl(3-phenylpropyl)amino]-2,2-diphenylbutanamide
CID 19088491
2-(4-methylphenyl)-2-phenylhexanamide;hydrochloride
CID 142429224
5-[2-(4-methoxyphenyl)ethyl-methylamino]-2,2-diphenylpentanamide
CID 19088507
(4-amino-4-oxo-3,3-diphenylbutyl)-ethyl-dimethylazanium
CID 8277
5-(dimethylamino)-2,2-bis(4-hydroxyphenyl)pentanamide
CID 57275546
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
6-[(5-carboxy-5,5-diphenylpentyl)-[2-(dimethylamino)ethyl]amino]-2,2-diphenylhexanoic acid
CID 170636634
(9Z,12Z)-2,2-diphenyloctadeca-9,12-dienamide
CID 122703905

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-5-oxo-4,4-diphenylpentyl)-(carboxymethyl)amino]acetic acid?
The IUPAC name of 2-[(5-amino-5-oxo-4,4-diphenylpentyl)-(carboxymethyl)amino]acetic acid (CID 20556756) is 2-[(5-amino-5-oxo-4,4-diphenylpentyl)-(carboxymethyl)amino]acetic acid.
What is the SMILES notation for 2-[(5-amino-5-oxo-4,4-diphenylpentyl)-(carboxymethyl)amino]acetic acid?
The canonical SMILES for 2-[(5-amino-5-oxo-4,4-diphenylpentyl)-(carboxymethyl)amino]acetic acid is NC(=O)C(CCCN(CC(=O)O)CC(=O)O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[(5-amino-5-oxo-4,4-diphenylpentyl)-(carboxymethyl)amino]acetic acid?
The InChIKey is UTPTYKMSMVZHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c22-20(28)21(16-8-3-1-4-9-16,17-10-5-2-6-11-17)12-7-13-23(14-18(24)25)15-19(26)27/h1-6,8-11H,7,12-15H2,(H2,22,28)(H,24,25)(H,26,27).
What are the key properties of 2-[(5-amino-5-oxo-4,4-diphenylpentyl)-(carboxymethyl)amino]acetic acid?
2-[(5-amino-5-oxo-4,4-diphenylpentyl)-(carboxymethyl)amino]acetic acid has a molecular weight of 384.43 g/mol, XLogP of 1.71, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-5-oxo-4,4-diphenylpentyl)-(carboxymethyl)amino]acetic acid is sourced from PubChem (CID 20556756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).