lithium;methyl 2-[(3-methyl-4-phenylbenzoyl)amino]acetate;2-[(3-methyl-4-phenylbenzoyl)amino]acetic acid;hydroxide

C33H33LiN2O7 — CID 158050233

IUPAClithium;methyl 2-[(3-methyl-4-phenylbenzoyl)amino]acetate;2-[(3-methyl-4-phenylbenzoyl)amino]acetic acid;hydroxide
SMILESCOC(=O)CNC(=O)c1ccc(-c2ccccc2)c(C)c1.Cc1cc(C(=O)NCC(=O)O)ccc1-c1ccccc1.[Li+].[OH-]
InChIInChI=1S/C17H17NO3.C16H15NO3.Li.H2O/c1-12-10-14(17(20)18-11-16(19)21-2)8-9-15(12)13-6-4-3-5-7-13;1-11-9-13(16(20)17-10-15(18)19)7-8-14(11)12-5-3-2-4-6-12;;/h3-10H,11H2,1-2H3,(H,18,20);2-9H,10H2,1H3,(H,17,20)(H,18,19);;1H2/q;;+1;/p-1
InChIKeyFJJSQQHAJQCAGJ-UHFFFAOYSA-M
MW576.58 g/mol
LogP1.87
Rot. Bonds8

About lithium;methyl 2-[(3-methyl-4-phenylbenzoyl)amino]acetate;2-[(3-methyl-4-phenylbenzoyl)amino]acetic acid;hydroxide

lithium;methyl 2-[(3-methyl-4-phenylbenzoyl)amino]acetate;2-[(3-methyl-4-phenylbenzoyl)amino]acetic acid;hydroxide (PubChem CID 158050233) has the molecular formula C33H33LiN2O7 and a molecular weight of 576.58 g/mol. Its IUPAC name is lithium;methyl 2-[(3-methyl-4-phenylbenzoyl)amino]acetate;2-[(3-methyl-4-phenylbenzoyl)amino]acetic acid;hydroxide.

Molecular Properties

Compound Namelithium;methyl 2-[(3-methyl-4-phenylbenzoyl)amino]acetate;2-[(3-methyl-4-phenylbenzoyl)amino]acetic acid;hydroxide
PubChem CID158050233
Molecular FormulaC33H33LiN2O7
Molecular Weight576.58 g/mol
Exact Mass576.24
IUPAC Namelithium;methyl 2-[(3-methyl-4-phenylbenzoyl)amino]acetate;2-[(3-methyl-4-phenylbenzoyl)amino]acetic acid;hydroxide
SMILESCOC(=O)CNC(=O)c1ccc(-c2ccccc2)c(C)c1.Cc1cc(C(=O)NCC(=O)O)ccc1-c1ccccc1.[Li+].[OH-]
InChIInChI=1S/C17H17NO3.C16H15NO3.Li.H2O/c1-12-10-14(17(20)18-11-16(19)21-2)8-9-15(12)13-6-4-3-5-7-13;1-11-9-13(16(20)17-10-15(18)19)7-8-14(11)12-5-3-2-4-6-12;;/h3-10H,11H2,1-2H3,(H,18,20);2-9H,10H2,1H3,(H,17,20)(H,18,19);;1H2/q;;+1;/p-1
InChIKeyFJJSQQHAJQCAGJ-UHFFFAOYSA-M
XLogP1.87
TPSA151.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500576.58
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze lithium;methyl 2-[(3-methyl-4-phenylbenzoyl)amino]acetate;2-[(3-methyl-4-phenylbenzoyl)amino]acetic acid;hydroxide 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

methyl 6-[(3-methyl-4-phenylbenzoyl)amino]hexanoate
CID 66690331
2-[(9,10-dioxoanthracene-2-carbonyl)amino]acetic acid
CID 10380616
2-[[4-[(4-methoxy-3-phenylbenzoyl)amino]benzoyl]amino]acetic acid
CID 75429308
2-[(4-bromo-3-methylbenzoyl)amino]acetic acid
CID 7303366
ethyl propanoate;2-[(4-phenylbenzoyl)amino]acetic acid
CID 143394399
lithium;2-[(3-bromo-2-methylbenzoyl)amino]acetic acid;methyl 2-[(3-bromo-2-methylbenzoyl)amino]acetate;hydroxide
CID 158853348
methyl 2-[[4-[(3-phenylthiophene-2-carbonyl)amino]benzoyl]amino]acetate
CID 60606150
2-[(3-methoxycarbonylbenzoyl)amino]acetic acid
CID 108786639
methyl 2-[(3-hydroxybenzoyl)amino]acetate
CID 578046
methyl 2-[(4-methyl-3-nitrobenzoyl)amino]acetate
CID 3422808
methyl 2-[(9,9-difluoro-7-methylfluorene-3-carbonyl)amino]acetate
CID 169198050
methyl 2-[(3-chlorobenzoyl)amino]acetate
CID 669189

Frequently Asked Questions

What is the IUPAC name of lithium;methyl 2-[(3-methyl-4-phenylbenzoyl)amino]acetate;2-[(3-methyl-4-phenylbenzoyl)amino]acetic acid;hydroxide?
The IUPAC name of lithium;methyl 2-[(3-methyl-4-phenylbenzoyl)amino]acetate;2-[(3-methyl-4-phenylbenzoyl)amino]acetic acid;hydroxide (CID 158050233) is lithium;methyl 2-[(3-methyl-4-phenylbenzoyl)amino]acetate;2-[(3-methyl-4-phenylbenzoyl)amino]acetic acid;hydroxide.
What is the SMILES notation for lithium;methyl 2-[(3-methyl-4-phenylbenzoyl)amino]acetate;2-[(3-methyl-4-phenylbenzoyl)amino]acetic acid;hydroxide?
The canonical SMILES for lithium;methyl 2-[(3-methyl-4-phenylbenzoyl)amino]acetate;2-[(3-methyl-4-phenylbenzoyl)amino]acetic acid;hydroxide is COC(=O)CNC(=O)c1ccc(-c2ccccc2)c(C)c1.Cc1cc(C(=O)NCC(=O)O)ccc1-c1ccccc1.[Li+].[OH-].
What is the InChIKey of lithium;methyl 2-[(3-methyl-4-phenylbenzoyl)amino]acetate;2-[(3-methyl-4-phenylbenzoyl)amino]acetic acid;hydroxide?
The InChIKey is FJJSQQHAJQCAGJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H17NO3.C16H15NO3.Li.H2O/c1-12-10-14(17(20)18-11-16(19)21-2)8-9-15(12)13-6-4-3-5-7-13;1-11-9-13(16(20)17-10-15(18)19)7-8-14(11)12-5-3-2-4-6-12;;/h3-10H,11H2,1-2H3,(H,18,20);2-9H,10H2,1H3,(H,17,20)(H,18,19);;1H2/q;;+1;/p-1.
What are the key properties of lithium;methyl 2-[(3-methyl-4-phenylbenzoyl)amino]acetate;2-[(3-methyl-4-phenylbenzoyl)amino]acetic acid;hydroxide?
lithium;methyl 2-[(3-methyl-4-phenylbenzoyl)amino]acetate;2-[(3-methyl-4-phenylbenzoyl)amino]acetic acid;hydroxide has a molecular weight of 576.58 g/mol, XLogP of 1.87, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;methyl 2-[(3-methyl-4-phenylbenzoyl)amino]acetate;2-[(3-methyl-4-phenylbenzoyl)amino]acetic acid;hydroxide is sourced from PubChem (CID 158050233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).