ethyl 3-hydroxy-2-[(2-pentoxyacetyl)amino]-3-pyridin-4-ylpropanoate

C17H26N2O5 — CID 126830361

IUPACethyl 3-hydroxy-2-[(2-pentoxyacetyl)amino]-3-pyridin-4-ylpropanoate
SMILESCCCCCOCC(=O)NC(C(=O)OCC)C(O)c1ccncc1
InChIInChI=1S/C17H26N2O5/c1-3-5-6-11-23-12-14(20)19-15(17(22)24-4-2)16(21)13-7-9-18-10-8-13/h7-10,15-16,21H,3-6,11-12H2,1-2H3,(H,19,20)
InChIKeyAOGQZCAQRWWBSH-UHFFFAOYSA-N
MW338.40 g/mol
LogP1.37
Rot. Bonds11

About ethyl 3-hydroxy-2-[(2-pentoxyacetyl)amino]-3-pyridin-4-ylpropanoate

ethyl 3-hydroxy-2-[(2-pentoxyacetyl)amino]-3-pyridin-4-ylpropanoate (PubChem CID 126830361) has the molecular formula C17H26N2O5 and a molecular weight of 338.40 g/mol. Its IUPAC name is ethyl 3-hydroxy-2-[(2-pentoxyacetyl)amino]-3-pyridin-4-ylpropanoate.

Molecular Properties

Compound Nameethyl 3-hydroxy-2-[(2-pentoxyacetyl)amino]-3-pyridin-4-ylpropanoate
PubChem CID126830361
Molecular FormulaC17H26N2O5
Molecular Weight338.40 g/mol
Exact Mass338.18
IUPAC Nameethyl 3-hydroxy-2-[(2-pentoxyacetyl)amino]-3-pyridin-4-ylpropanoate
SMILESCCCCCOCC(=O)NC(C(=O)OCC)C(O)c1ccncc1
InChIInChI=1S/C17H26N2O5/c1-3-5-6-11-23-12-14(20)19-15(17(22)24-4-2)16(21)13-7-9-18-10-8-13/h7-10,15-16,21H,3-6,11-12H2,1-2H3,(H,19,20)
InChIKeyAOGQZCAQRWWBSH-UHFFFAOYSA-N
XLogP1.37
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-4-ylpropanoate
CID 126836049
ethyl (2S,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-4-ylpropanoate
CID 125449408
ethyl (2R,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-4-ylpropanoate
CID 125449410
2-decoxy-N-(1-hydroxyethyl)acetamide
CID 88812152
N-[(1S,2R)-1-hydroxy-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-2-yl]decanamide;methane
CID 159961798
N-[(2S)-1-aminopropan-2-yl]-2-pentoxyacetamide
CID 120506511
2-methyl-3-[(2-pentoxyacetyl)amino]-3-phenylpropanoic acid
CID 119218636
(2S)-2-[(2-pentoxyacetyl)amino]-3-phenylpropanoic acid
CID 119366667
2-decoxy-N-sulfanylacetamide
CID 150404301
ethyl 3-oxo-2-pyridin-4-ylbutanoate
CID 54340511
pentyl pyridine-4-carboxylate
CID 531655
ethyl 2-methyl-3-pyridin-4-ylpropanoate
CID 22939399

Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-2-[(2-pentoxyacetyl)amino]-3-pyridin-4-ylpropanoate?
The IUPAC name of ethyl 3-hydroxy-2-[(2-pentoxyacetyl)amino]-3-pyridin-4-ylpropanoate (CID 126830361) is ethyl 3-hydroxy-2-[(2-pentoxyacetyl)amino]-3-pyridin-4-ylpropanoate.
What is the SMILES notation for ethyl 3-hydroxy-2-[(2-pentoxyacetyl)amino]-3-pyridin-4-ylpropanoate?
The canonical SMILES for ethyl 3-hydroxy-2-[(2-pentoxyacetyl)amino]-3-pyridin-4-ylpropanoate is CCCCCOCC(=O)NC(C(=O)OCC)C(O)c1ccncc1.
What is the InChIKey of ethyl 3-hydroxy-2-[(2-pentoxyacetyl)amino]-3-pyridin-4-ylpropanoate?
The InChIKey is AOGQZCAQRWWBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O5/c1-3-5-6-11-23-12-14(20)19-15(17(22)24-4-2)16(21)13-7-9-18-10-8-13/h7-10,15-16,21H,3-6,11-12H2,1-2H3,(H,19,20).
What are the key properties of ethyl 3-hydroxy-2-[(2-pentoxyacetyl)amino]-3-pyridin-4-ylpropanoate?
ethyl 3-hydroxy-2-[(2-pentoxyacetyl)amino]-3-pyridin-4-ylpropanoate has a molecular weight of 338.40 g/mol, XLogP of 1.37, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-2-[(2-pentoxyacetyl)amino]-3-pyridin-4-ylpropanoate is sourced from PubChem (CID 126830361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).