ethyl 4-[(2-pyridin-4-ylacetyl)amino]butanoate

C13H18N2O3 — CID 64580309

IUPACethyl 4-[(2-pyridin-4-ylacetyl)amino]butanoate
SMILESCCOC(=O)CCCNC(=O)Cc1ccncc1
InChIInChI=1S/C13H18N2O3/c1-2-18-13(17)4-3-7-15-12(16)10-11-5-8-14-9-6-11/h5-6,8-9H,2-4,7,10H2,1H3,(H,15,16)
InChIKeyBHFIBVHRAXZGMA-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.08
Rot. Bonds7

About ethyl 4-[(2-pyridin-4-ylacetyl)amino]butanoate

ethyl 4-[(2-pyridin-4-ylacetyl)amino]butanoate (PubChem CID 64580309) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is ethyl 4-[(2-pyridin-4-ylacetyl)amino]butanoate.

Molecular Properties

Compound Nameethyl 4-[(2-pyridin-4-ylacetyl)amino]butanoate
PubChem CID64580309
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Nameethyl 4-[(2-pyridin-4-ylacetyl)amino]butanoate
SMILESCCOC(=O)CCCNC(=O)Cc1ccncc1
InChIInChI=1S/C13H18N2O3/c1-2-18-13(17)4-3-7-15-12(16)10-11-5-8-14-9-6-11/h5-6,8-9H,2-4,7,10H2,1H3,(H,15,16)
InChIKeyBHFIBVHRAXZGMA-UHFFFAOYSA-N
XLogP1.08
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]butanoate
CID 134008850
ethyl 6-[(2-phenylacetyl)amino]hexanoate
CID 46844441
ethyl 4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoate
CID 134024394
ethyl 4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]butanoate
CID 60645837
ethyl 3-[[2-(4-chlorophenyl)acetyl]amino]propanoate
CID 50851083
ethyl 4-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]butanoate
CID 37258678
6-[(2-pyridin-4-ylacetyl)amino]hexanoic acid
CID 16789577
7-[(2-pyridin-4-ylacetyl)amino]heptanoic acid
CID 24700548
ethyl 3-[[2-(1H-pyrazol-5-yl)acetyl]amino]propanoate
CID 79040354
ethyl 4-[(3-hydroxypyridine-2-carbonyl)amino]butanoate
CID 62734876
ethyl 4-[[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]butanoate
CID 37259431
methyl 4-[[2-(4-aminophenyl)acetyl]amino]butanoate
CID 61274710

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-pyridin-4-ylacetyl)amino]butanoate?
The IUPAC name of ethyl 4-[(2-pyridin-4-ylacetyl)amino]butanoate (CID 64580309) is ethyl 4-[(2-pyridin-4-ylacetyl)amino]butanoate.
What is the SMILES notation for ethyl 4-[(2-pyridin-4-ylacetyl)amino]butanoate?
The canonical SMILES for ethyl 4-[(2-pyridin-4-ylacetyl)amino]butanoate is CCOC(=O)CCCNC(=O)Cc1ccncc1.
What is the InChIKey of ethyl 4-[(2-pyridin-4-ylacetyl)amino]butanoate?
The InChIKey is BHFIBVHRAXZGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-2-18-13(17)4-3-7-15-12(16)10-11-5-8-14-9-6-11/h5-6,8-9H,2-4,7,10H2,1H3,(H,15,16).
What are the key properties of ethyl 4-[(2-pyridin-4-ylacetyl)amino]butanoate?
ethyl 4-[(2-pyridin-4-ylacetyl)amino]butanoate has a molecular weight of 250.30 g/mol, XLogP of 1.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-pyridin-4-ylacetyl)amino]butanoate is sourced from PubChem (CID 64580309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).