3-[1-[2-[(2-ethoxybenzoyl)amino]acetyl]piperidin-3-yl]propanoic acid

C19H26N2O5 — CID 120536602

IUPAC3-[1-[2-[(2-ethoxybenzoyl)amino]acetyl]piperidin-3-yl]propanoic acid
SMILESCCOc1ccccc1C(=O)NCC(=O)N1CCCC(CCC(=O)O)C1
InChIInChI=1S/C19H26N2O5/c1-2-26-16-8-4-3-7-15(16)19(25)20-12-17(22)21-11-5-6-14(13-21)9-10-18(23)24/h3-4,7-8,14H,2,5-6,9-13H2,1H3,(H,20,25)(H,23,24)
InChIKeyPAXKVHBMKXEZKT-UHFFFAOYSA-N
MW362.43 g/mol
LogP1.92
Rot. Bonds8

About 3-[1-[2-[(2-ethoxybenzoyl)amino]acetyl]piperidin-3-yl]propanoic acid

3-[1-[2-[(2-ethoxybenzoyl)amino]acetyl]piperidin-3-yl]propanoic acid (PubChem CID 120536602) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-[1-[2-[(2-ethoxybenzoyl)amino]acetyl]piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[2-[(2-ethoxybenzoyl)amino]acetyl]piperidin-3-yl]propanoic acid
PubChem CID120536602
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Name3-[1-[2-[(2-ethoxybenzoyl)amino]acetyl]piperidin-3-yl]propanoic acid
SMILESCCOc1ccccc1C(=O)NCC(=O)N1CCCC(CCC(=O)O)C1
InChIInChI=1S/C19H26N2O5/c1-2-26-16-8-4-3-7-15(16)19(25)20-12-17(22)21-11-5-6-14(13-21)9-10-18(23)24/h3-4,7-8,14H,2,5-6,9-13H2,1H3,(H,20,25)(H,23,24)
InChIKeyPAXKVHBMKXEZKT-UHFFFAOYSA-N
XLogP1.92
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[[1-[2-[(2-ethoxybenzoyl)amino]acetyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 55825250
3-[(3R)-1-[2-(cyclopropylmethoxy)benzoyl]piperidin-3-yl]propanoic acid
CID 129415483
[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807864
3-[(3S)-1-[2-(2-methoxyphenyl)acetyl]piperidin-3-yl]propanoic acid
CID 124685255
[3-(2-chloroethyl)piperidin-1-yl]-(2-ethoxyphenyl)methanone
CID 63395748
N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-2-ethoxybenzamide
CID 27670539
2-ethoxy-N-[2-(9-methyl-6-azaspiro[3.5]nonan-6-yl)-2-oxoethyl]benzamide
CID 136520005
2-ethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 7494427
3-[(3S)-1-(3-phenoxypropanoyl)piperidin-3-yl]propanoic acid
CID 124700081
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-ethoxybenzamide
CID 51160741
3-[(2-ethoxybenzoyl)amino]propanoic acid
CID 665917
N-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-2-ethoxybenzamide
CID 3232201

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-[(2-ethoxybenzoyl)amino]acetyl]piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[1-[2-[(2-ethoxybenzoyl)amino]acetyl]piperidin-3-yl]propanoic acid (CID 120536602) is 3-[1-[2-[(2-ethoxybenzoyl)amino]acetyl]piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-[2-[(2-ethoxybenzoyl)amino]acetyl]piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-[2-[(2-ethoxybenzoyl)amino]acetyl]piperidin-3-yl]propanoic acid is CCOc1ccccc1C(=O)NCC(=O)N1CCCC(CCC(=O)O)C1.
What is the InChIKey of 3-[1-[2-[(2-ethoxybenzoyl)amino]acetyl]piperidin-3-yl]propanoic acid?
The InChIKey is PAXKVHBMKXEZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-2-26-16-8-4-3-7-15(16)19(25)20-12-17(22)21-11-5-6-14(13-21)9-10-18(23)24/h3-4,7-8,14H,2,5-6,9-13H2,1H3,(H,20,25)(H,23,24).
What are the key properties of 3-[1-[2-[(2-ethoxybenzoyl)amino]acetyl]piperidin-3-yl]propanoic acid?
3-[1-[2-[(2-ethoxybenzoyl)amino]acetyl]piperidin-3-yl]propanoic acid has a molecular weight of 362.43 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-[(2-ethoxybenzoyl)amino]acetyl]piperidin-3-yl]propanoic acid is sourced from PubChem (CID 120536602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).