3-[[2-[(2-ethoxybenzoyl)amino]acetyl]-methylamino]-2-methylpropanoic acid

C16H22N2O5 — CID 120524322

IUPAC3-[[2-[(2-ethoxybenzoyl)amino]acetyl]-methylamino]-2-methylpropanoic acid
SMILESCCOc1ccccc1C(=O)NCC(=O)N(C)CC(C)C(=O)O
InChIInChI=1S/C16H22N2O5/c1-4-23-13-8-6-5-7-12(13)15(20)17-9-14(19)18(3)10-11(2)16(21)22/h5-8,11H,4,9-10H2,1-3H3,(H,17,20)(H,21,22)
InChIKeyGAQDIRVVUXOUOT-UHFFFAOYSA-N
MW322.36 g/mol
LogP0.99
Rot. Bonds8

About 3-[[2-[(2-ethoxybenzoyl)amino]acetyl]-methylamino]-2-methylpropanoic acid

3-[[2-[(2-ethoxybenzoyl)amino]acetyl]-methylamino]-2-methylpropanoic acid (PubChem CID 120524322) has the molecular formula C16H22N2O5 and a molecular weight of 322.36 g/mol. Its IUPAC name is 3-[[2-[(2-ethoxybenzoyl)amino]acetyl]-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[2-[(2-ethoxybenzoyl)amino]acetyl]-methylamino]-2-methylpropanoic acid
PubChem CID120524322
Molecular FormulaC16H22N2O5
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Name3-[[2-[(2-ethoxybenzoyl)amino]acetyl]-methylamino]-2-methylpropanoic acid
SMILESCCOc1ccccc1C(=O)NCC(=O)N(C)CC(C)C(=O)O
InChIInChI=1S/C16H22N2O5/c1-4-23-13-8-6-5-7-12(13)15(20)17-9-14(19)18(3)10-11(2)16(21)22/h5-8,11H,4,9-10H2,1-3H3,(H,17,20)(H,21,22)
InChIKeyGAQDIRVVUXOUOT-UHFFFAOYSA-N
XLogP0.99
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-[[2-(difluoromethoxy)benzoyl]amino]acetyl]-methylamino]-2-methylpropanoic acid
CID 122111558
2-[[2-[(2-ethoxybenzoyl)amino]acetyl]-propan-2-ylamino]acetic acid
CID 120518304
3-[[2-(2-ethoxyethoxy)benzoyl]-methylamino]-2-methylpropanoic acid
CID 119227986
2-[[2-[(2-ethoxybenzoyl)amino]acetyl]amino]acetic acid
CID 43387480
ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 4056517
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-ethoxybenzamide
CID 103840168
N-(3-aminobutyl)-2-ethoxybenzamide
CID 63253543
2-[cyclopropyl-[2-[(2-ethoxybenzoyl)amino]acetyl]amino]acetic acid
CID 120517637
3-[2-(2-ethoxyphenyl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122000462
2-ethoxy-N-[2-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]-2-oxoethyl]benzamide
CID 55551379
2-ethoxy-N-[2-[2-(N-methylanilino)ethylamino]-2-oxoethyl]benzamide
CID 25396087
2-ethoxy-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide
CID 109380671

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(2-ethoxybenzoyl)amino]acetyl]-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[[2-[(2-ethoxybenzoyl)amino]acetyl]-methylamino]-2-methylpropanoic acid (CID 120524322) is 3-[[2-[(2-ethoxybenzoyl)amino]acetyl]-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[2-[(2-ethoxybenzoyl)amino]acetyl]-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[2-[(2-ethoxybenzoyl)amino]acetyl]-methylamino]-2-methylpropanoic acid is CCOc1ccccc1C(=O)NCC(=O)N(C)CC(C)C(=O)O.
What is the InChIKey of 3-[[2-[(2-ethoxybenzoyl)amino]acetyl]-methylamino]-2-methylpropanoic acid?
The InChIKey is GAQDIRVVUXOUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5/c1-4-23-13-8-6-5-7-12(13)15(20)17-9-14(19)18(3)10-11(2)16(21)22/h5-8,11H,4,9-10H2,1-3H3,(H,17,20)(H,21,22).
What are the key properties of 3-[[2-[(2-ethoxybenzoyl)amino]acetyl]-methylamino]-2-methylpropanoic acid?
3-[[2-[(2-ethoxybenzoyl)amino]acetyl]-methylamino]-2-methylpropanoic acid has a molecular weight of 322.36 g/mol, XLogP of 0.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(2-ethoxybenzoyl)amino]acetyl]-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 120524322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).