2-[[2-[(2-ethoxybenzoyl)amino]acetyl]-propan-2-ylamino]acetic acid

C16H22N2O5 — CID 120518304

IUPAC2-[[2-[(2-ethoxybenzoyl)amino]acetyl]-propan-2-ylamino]acetic acid
SMILESCCOc1ccccc1C(=O)NCC(=O)N(CC(=O)O)C(C)C
InChIInChI=1S/C16H22N2O5/c1-4-23-13-8-6-5-7-12(13)16(22)17-9-14(19)18(11(2)3)10-15(20)21/h5-8,11H,4,9-10H2,1-3H3,(H,17,22)(H,20,21)
InChIKeyATJNVDLWHSLGIR-UHFFFAOYSA-N
MW322.36 g/mol
LogP1.14
Rot. Bonds8

About 2-[[2-[(2-ethoxybenzoyl)amino]acetyl]-propan-2-ylamino]acetic acid

2-[[2-[(2-ethoxybenzoyl)amino]acetyl]-propan-2-ylamino]acetic acid (PubChem CID 120518304) has the molecular formula C16H22N2O5 and a molecular weight of 322.36 g/mol. Its IUPAC name is 2-[[2-[(2-ethoxybenzoyl)amino]acetyl]-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(2-ethoxybenzoyl)amino]acetyl]-propan-2-ylamino]acetic acid
PubChem CID120518304
Molecular FormulaC16H22N2O5
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Name2-[[2-[(2-ethoxybenzoyl)amino]acetyl]-propan-2-ylamino]acetic acid
SMILESCCOc1ccccc1C(=O)NCC(=O)N(CC(=O)O)C(C)C
InChIInChI=1S/C16H22N2O5/c1-4-23-13-8-6-5-7-12(13)16(22)17-9-14(19)18(11(2)3)10-15(20)21/h5-8,11H,4,9-10H2,1-3H3,(H,17,22)(H,20,21)
InChIKeyATJNVDLWHSLGIR-UHFFFAOYSA-N
XLogP1.14
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 ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl-[2-[(2-ethoxybenzoyl)amino]acetyl]amino]acetic acid
CID 120517637
3-[[2-[(2-ethoxybenzoyl)amino]acetyl]-methylamino]-2-methylpropanoic acid
CID 120524322
2-[[2-[(2-ethoxybenzoyl)amino]acetyl]amino]acetic acid
CID 43387480
2-[[2-[(2,4-difluorobenzoyl)amino]acetyl]-propan-2-ylamino]acetic acid
CID 139013505
3-[(2-ethoxybenzoyl)amino]propanoic acid
CID 665917
ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 4056517
N-(3-aminobutyl)-2-ethoxybenzamide
CID 63253543
2-ethoxy-N-[2-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]-2-oxoethyl]benzamide
CID 55551379
N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-2-ethoxybenzamide
CID 7601514
N-[2-(2-benzhydrylidenehydrazinyl)-2-oxoethyl]-2-ethoxybenzamide
CID 41375551
2-ethoxy-N-(2-hydroxyethyl)benzamide
CID 4088522
2-ethoxy-N-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 46654191

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-ethoxybenzoyl)amino]acetyl]-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[[2-[(2-ethoxybenzoyl)amino]acetyl]-propan-2-ylamino]acetic acid (CID 120518304) is 2-[[2-[(2-ethoxybenzoyl)amino]acetyl]-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[[2-[(2-ethoxybenzoyl)amino]acetyl]-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[[2-[(2-ethoxybenzoyl)amino]acetyl]-propan-2-ylamino]acetic acid is CCOc1ccccc1C(=O)NCC(=O)N(CC(=O)O)C(C)C.
What is the InChIKey of 2-[[2-[(2-ethoxybenzoyl)amino]acetyl]-propan-2-ylamino]acetic acid?
The InChIKey is ATJNVDLWHSLGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5/c1-4-23-13-8-6-5-7-12(13)16(22)17-9-14(19)18(11(2)3)10-15(20)21/h5-8,11H,4,9-10H2,1-3H3,(H,17,22)(H,20,21).
What are the key properties of 2-[[2-[(2-ethoxybenzoyl)amino]acetyl]-propan-2-ylamino]acetic acid?
2-[[2-[(2-ethoxybenzoyl)amino]acetyl]-propan-2-ylamino]acetic acid has a molecular weight of 322.36 g/mol, XLogP of 1.14, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-ethoxybenzoyl)amino]acetyl]-propan-2-ylamino]acetic acid is sourced from PubChem (CID 120518304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).