2,2-dimethyl-3-[(2-methyl-3-pyridin-2-ylbenzoyl)amino]propanoic acid

C18H20N2O3 — CID 120527980

IUPAC2,2-dimethyl-3-[(2-methyl-3-pyridin-2-ylbenzoyl)amino]propanoic acid
SMILESCc1c(C(=O)NCC(C)(C)C(=O)O)cccc1-c1ccccn1
InChIInChI=1S/C18H20N2O3/c1-12-13(15-9-4-5-10-19-15)7-6-8-14(12)16(21)20-11-18(2,3)17(22)23/h4-10H,11H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyMZXLSGRFCAEXCE-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.90
Rot. Bonds5

About 2,2-dimethyl-3-[(2-methyl-3-pyridin-2-ylbenzoyl)amino]propanoic acid

2,2-dimethyl-3-[(2-methyl-3-pyridin-2-ylbenzoyl)amino]propanoic acid (PubChem CID 120527980) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(2-methyl-3-pyridin-2-ylbenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[(2-methyl-3-pyridin-2-ylbenzoyl)amino]propanoic acid
PubChem CID120527980
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name2,2-dimethyl-3-[(2-methyl-3-pyridin-2-ylbenzoyl)amino]propanoic acid
SMILESCc1c(C(=O)NCC(C)(C)C(=O)O)cccc1-c1ccccn1
InChIInChI=1S/C18H20N2O3/c1-12-13(15-9-4-5-10-19-15)7-6-8-14(12)16(21)20-11-18(2,3)17(22)23/h4-10H,11H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyMZXLSGRFCAEXCE-UHFFFAOYSA-N
XLogP2.90
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxypropyl)-2-methyl-3-pyridin-2-ylbenzamide
CID 109399313
N-[[2-(hydroxymethyl)phenyl]methyl]-2-methyl-3-pyridin-2-ylbenzamide
CID 109399422
N-(2-hydroxypentyl)-2-methyl-3-pyridin-2-ylbenzamide
CID 109399496
N-[(1-methoxycyclobutyl)methyl]-2-methyl-3-pyridin-2-ylbenzamide
CID 136521765
2,2-dimethyl-3-[[2-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 120527844
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-methyl-3-pyridin-2-ylbenzamide
CID 97242872
2,2-dimethyl-3-[(2-propylsulfonylbenzoyl)amino]propanoic acid
CID 119250169
N-(3-cyanothiolan-3-yl)-2-methyl-3-pyridin-2-ylbenzamide
CID 75389234
3-[(3-bromopyridine-2-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 107517223
2,2-dimethyl-3-(pyridin-2-ylamino)propanoic acid
CID 115136447
2,3-dimethyl-4-pyridin-2-ylbenzoic acid
CID 175747160
3-[(2,3-dimethylbenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172550

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(2-methyl-3-pyridin-2-ylbenzoyl)amino]propanoic acid?
The IUPAC name of 2,2-dimethyl-3-[(2-methyl-3-pyridin-2-ylbenzoyl)amino]propanoic acid (CID 120527980) is 2,2-dimethyl-3-[(2-methyl-3-pyridin-2-ylbenzoyl)amino]propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-[(2-methyl-3-pyridin-2-ylbenzoyl)amino]propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-[(2-methyl-3-pyridin-2-ylbenzoyl)amino]propanoic acid is Cc1c(C(=O)NCC(C)(C)C(=O)O)cccc1-c1ccccn1.
What is the InChIKey of 2,2-dimethyl-3-[(2-methyl-3-pyridin-2-ylbenzoyl)amino]propanoic acid?
The InChIKey is MZXLSGRFCAEXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-12-13(15-9-4-5-10-19-15)7-6-8-14(12)16(21)20-11-18(2,3)17(22)23/h4-10H,11H2,1-3H3,(H,20,21)(H,22,23).
What are the key properties of 2,2-dimethyl-3-[(2-methyl-3-pyridin-2-ylbenzoyl)amino]propanoic acid?
2,2-dimethyl-3-[(2-methyl-3-pyridin-2-ylbenzoyl)amino]propanoic acid has a molecular weight of 312.37 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(2-methyl-3-pyridin-2-ylbenzoyl)amino]propanoic acid is sourced from PubChem (CID 120527980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).