ethyl 4-[ethyl(pyridin-2-ylmethyl)amino]-3-hydroxybutanoate

C14H22N2O3 — CID 82769148

IUPACethyl 4-[ethyl(pyridin-2-ylmethyl)amino]-3-hydroxybutanoate
SMILESCCOC(=O)CC(O)CN(CC)Cc1ccccn1
InChIInChI=1S/C14H22N2O3/c1-3-16(10-12-7-5-6-8-15-12)11-13(17)9-14(18)19-4-2/h5-8,13,17H,3-4,9-11H2,1-2H3
InChIKeyZCVISXKXSZALPH-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.22
Rot. Bonds8

About ethyl 4-[ethyl(pyridin-2-ylmethyl)amino]-3-hydroxybutanoate

ethyl 4-[ethyl(pyridin-2-ylmethyl)amino]-3-hydroxybutanoate (PubChem CID 82769148) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is ethyl 4-[ethyl(pyridin-2-ylmethyl)amino]-3-hydroxybutanoate.

Molecular Properties

Compound Nameethyl 4-[ethyl(pyridin-2-ylmethyl)amino]-3-hydroxybutanoate
PubChem CID82769148
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Nameethyl 4-[ethyl(pyridin-2-ylmethyl)amino]-3-hydroxybutanoate
SMILESCCOC(=O)CC(O)CN(CC)Cc1ccccn1
InChIInChI=1S/C14H22N2O3/c1-3-16(10-12-7-5-6-8-15-12)11-13(17)9-14(18)19-4-2/h5-8,13,17H,3-4,9-11H2,1-2H3
InChIKeyZCVISXKXSZALPH-UHFFFAOYSA-N
XLogP1.22
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[ethyl(pyridin-2-ylmethyl)amino]propan-2-ol
CID 78998409
ethyl 3-[methyl(pyridin-2-ylmethyl)amino]-3-oxopropanoate
CID 115138599
acetic acid;bis(1,3-bis[bis(pyridin-2-ylmethyl)amino]propan-2-ol);manganese
CID 158480900
2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetate;ethyl 2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetate
CID 160612270
[ethyl(pyridin-2-ylmethyl)amino]methanol
CID 20707216
ethyl 2-[methyl-(2-pyridin-2-ylacetyl)amino]acetate
CID 55003377
zinc;acetic acid;1,3-bis[bis(pyridin-2-ylmethyl)amino]propan-2-ol;zinc;dihexafluorophosphate
CID 90472653
3-[ethyl(pyridin-2-ylmethyl)amino]propanoic acid
CID 61010631
ethyl 3-(2-pyridin-2-ylethoxy)butanoate
CID 115001946
ethyl 2-[[(2E,4Z)-2-methylhepta-2,4,6-trienyl]-(pyridin-2-ylmethyl)amino]acetate
CID 142301368
3-[3-[bis(pyridin-2-ylmethyl)amino]-2-hydroxypropoxy]propane-1,2-diol
CID 132519367
(2R)-1-N,1-N-bis(pyridin-2-ylmethyl)butane-1,2-diamine
CID 102044881

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[ethyl(pyridin-2-ylmethyl)amino]-3-hydroxybutanoate?
The IUPAC name of ethyl 4-[ethyl(pyridin-2-ylmethyl)amino]-3-hydroxybutanoate (CID 82769148) is ethyl 4-[ethyl(pyridin-2-ylmethyl)amino]-3-hydroxybutanoate.
What is the SMILES notation for ethyl 4-[ethyl(pyridin-2-ylmethyl)amino]-3-hydroxybutanoate?
The canonical SMILES for ethyl 4-[ethyl(pyridin-2-ylmethyl)amino]-3-hydroxybutanoate is CCOC(=O)CC(O)CN(CC)Cc1ccccn1.
What is the InChIKey of ethyl 4-[ethyl(pyridin-2-ylmethyl)amino]-3-hydroxybutanoate?
The InChIKey is ZCVISXKXSZALPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-3-16(10-12-7-5-6-8-15-12)11-13(17)9-14(18)19-4-2/h5-8,13,17H,3-4,9-11H2,1-2H3.
What are the key properties of ethyl 4-[ethyl(pyridin-2-ylmethyl)amino]-3-hydroxybutanoate?
ethyl 4-[ethyl(pyridin-2-ylmethyl)amino]-3-hydroxybutanoate has a molecular weight of 266.34 g/mol, XLogP of 1.22, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[ethyl(pyridin-2-ylmethyl)amino]-3-hydroxybutanoate is sourced from PubChem (CID 82769148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).