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

C14H22N2O2 — CID 114011564

IUPACethyl 2-[(5-tert-butyl-2-pyridinyl)amino]propanoate
SMILESCCOC(=O)C(C)Nc1ccc(C(C)(C)C)cn1
InChIInChI=1S/C14H22N2O2/c1-6-18-13(17)10(2)16-12-8-7-11(9-15-12)14(3,4)5/h7-10H,6H2,1-5H3,(H,15,16)
InChIKeyHUXNQMSTRCOZDO-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.74
Rot. Bonds4

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

ethyl 2-[(5-tert-butyl-2-pyridinyl)amino]propanoate (PubChem CID 114011564) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is ethyl 2-[(5-tert-butyl-2-pyridinyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(5-tert-butyl-2-pyridinyl)amino]propanoate
PubChem CID114011564
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Nameethyl 2-[(5-tert-butyl-2-pyridinyl)amino]propanoate
SMILESCCOC(=O)C(C)Nc1ccc(C(C)(C)C)cn1
InChIInChI=1S/C14H22N2O2/c1-6-18-13(17)10(2)16-12-8-7-11(9-15-12)14(3,4)5/h7-10H,6H2,1-5H3,(H,15,16)
InChIKeyHUXNQMSTRCOZDO-UHFFFAOYSA-N
XLogP2.74
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

ethyl 2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoate
CID 61498811
methyl 2-[(5-tert-butyl-2-pyridinyl)amino]-3-methylbutanoate
CID 114011567
ethyl 3-[(5-tert-butyl-2-pyridinyl)amino]propanoate
CID 114011571
ethyl 2-[(6-methyl-2-pyridinyl)amino]propanoate
CID 61499213
4-N-(5-tert-butyl-2-pyridinyl)pentane-2,4-diamine
CID 107875701
ethyl 3-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoate
CID 102436674
methyl 6-[(1-ethoxy-1-oxopropan-2-yl)amino]pyridazine-3-carboxylate
CID 54960640
ethyl 6-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylate
CID 61065618
ethyl 2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoate
CID 115593424
2-[(5-tert-butyl-2-pyridinyl)amino]-N,N-dimethylacetamide
CID 114011543
5-tert-butyl-N-(4-chloro-3-methylbutan-2-yl)pyridin-2-amine
CID 107875628
2-[(5-methyl-2-pyridinyl)amino]-N-propylpropanamide
CID 61480003

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-tert-butyl-2-pyridinyl)amino]propanoate?
The IUPAC name of ethyl 2-[(5-tert-butyl-2-pyridinyl)amino]propanoate (CID 114011564) is ethyl 2-[(5-tert-butyl-2-pyridinyl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(5-tert-butyl-2-pyridinyl)amino]propanoate?
The canonical SMILES for ethyl 2-[(5-tert-butyl-2-pyridinyl)amino]propanoate is CCOC(=O)C(C)Nc1ccc(C(C)(C)C)cn1.
What is the InChIKey of ethyl 2-[(5-tert-butyl-2-pyridinyl)amino]propanoate?
The InChIKey is HUXNQMSTRCOZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-6-18-13(17)10(2)16-12-8-7-11(9-15-12)14(3,4)5/h7-10H,6H2,1-5H3,(H,15,16).
What are the key properties of ethyl 2-[(5-tert-butyl-2-pyridinyl)amino]propanoate?
ethyl 2-[(5-tert-butyl-2-pyridinyl)amino]propanoate has a molecular weight of 250.34 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-tert-butyl-2-pyridinyl)amino]propanoate is sourced from PubChem (CID 114011564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).