ethyl 3-[(5-tert-butyl-2-pyridinyl)amino]propanoate

C14H22N2O2 — CID 114011571

IUPACethyl 3-[(5-tert-butyl-2-pyridinyl)amino]propanoate
SMILESCCOC(=O)CCNc1ccc(C(C)(C)C)cn1
InChIInChI=1S/C14H22N2O2/c1-5-18-13(17)8-9-15-12-7-6-11(10-16-12)14(2,3)4/h6-7,10H,5,8-9H2,1-4H3,(H,15,16)
InChIKeyNSSNZXZYVOCNMZ-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.74
Rot. Bonds5

About ethyl 3-[(5-tert-butyl-2-pyridinyl)amino]propanoate

ethyl 3-[(5-tert-butyl-2-pyridinyl)amino]propanoate (PubChem CID 114011571) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is ethyl 3-[(5-tert-butyl-2-pyridinyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(5-tert-butyl-2-pyridinyl)amino]propanoate
PubChem CID114011571
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Nameethyl 3-[(5-tert-butyl-2-pyridinyl)amino]propanoate
SMILESCCOC(=O)CCNc1ccc(C(C)(C)C)cn1
InChIInChI=1S/C14H22N2O2/c1-5-18-13(17)8-9-15-12-7-6-11(10-16-12)14(2,3)4/h6-7,10H,5,8-9H2,1-4H3,(H,15,16)
InChIKeyNSSNZXZYVOCNMZ-UHFFFAOYSA-N
XLogP2.74
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoate
CID 60631959
ethyl 3-[(5-aminopyrazin-2-yl)amino]propanoate
CID 80653355
ethyl 3-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]propanoate
CID 103340848
ethyl 3-(quinoxalin-2-ylamino)propanoate
CID 47439650
ethyl 2-[(5-tert-butyl-2-pyridinyl)amino]propanoate
CID 114011564
ethyl 6-[(3-amino-3-oxopropyl)amino]pyridine-3-carboxylate
CID 43532828
2-[(5-tert-butyl-2-pyridinyl)amino]-N,N-dimethylacetamide
CID 114011543
ethyl 2-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]-1,3-oxazole-5-carboxylate
CID 166301269
ethyl 3-[(6-cyano-2-pyridinyl)amino]propanoate
CID 64589745
3-[[(5-tert-butyl-2-pyridinyl)amino]methyl]pentan-3-ol
CID 107874744
3-[(5-tert-butyl-2-pyridinyl)amino]-N,2,2-trimethylpropanamide
CID 106278300
ethyl 4-[(5-aminopyrazin-2-yl)amino]butanoate
CID 80653247

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(5-tert-butyl-2-pyridinyl)amino]propanoate?
The IUPAC name of ethyl 3-[(5-tert-butyl-2-pyridinyl)amino]propanoate (CID 114011571) is ethyl 3-[(5-tert-butyl-2-pyridinyl)amino]propanoate.
What is the SMILES notation for ethyl 3-[(5-tert-butyl-2-pyridinyl)amino]propanoate?
The canonical SMILES for ethyl 3-[(5-tert-butyl-2-pyridinyl)amino]propanoate is CCOC(=O)CCNc1ccc(C(C)(C)C)cn1.
What is the InChIKey of ethyl 3-[(5-tert-butyl-2-pyridinyl)amino]propanoate?
The InChIKey is NSSNZXZYVOCNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-5-18-13(17)8-9-15-12-7-6-11(10-16-12)14(2,3)4/h6-7,10H,5,8-9H2,1-4H3,(H,15,16).
What are the key properties of ethyl 3-[(5-tert-butyl-2-pyridinyl)amino]propanoate?
ethyl 3-[(5-tert-butyl-2-pyridinyl)amino]propanoate has a molecular weight of 250.34 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(5-tert-butyl-2-pyridinyl)amino]propanoate is sourced from PubChem (CID 114011571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).