tert-butyl 4-amino-3-(3-methoxy-2-pyridinyl)butanoate

C14H22N2O3 — CID 142451308

IUPACtert-butyl 4-amino-3-(3-methoxy-2-pyridinyl)butanoate
SMILESCOc1cccnc1C(CN)CC(=O)OC(C)(C)C
InChIInChI=1S/C14H22N2O3/c1-14(2,3)19-12(17)8-10(9-15)13-11(18-4)6-5-7-16-13/h5-7,10H,8-9,15H2,1-4H3
InChIKeyKKYDCQWRGUZZDH-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.86
Rot. Bonds5

About tert-butyl 4-amino-3-(3-methoxy-2-pyridinyl)butanoate

tert-butyl 4-amino-3-(3-methoxy-2-pyridinyl)butanoate (PubChem CID 142451308) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is tert-butyl 4-amino-3-(3-methoxy-2-pyridinyl)butanoate.

Molecular Properties

Compound Nametert-butyl 4-amino-3-(3-methoxy-2-pyridinyl)butanoate
PubChem CID142451308
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Nametert-butyl 4-amino-3-(3-methoxy-2-pyridinyl)butanoate
SMILESCOc1cccnc1C(CN)CC(=O)OC(C)(C)C
InChIInChI=1S/C14H22N2O3/c1-14(2,3)19-12(17)8-10(9-15)13-11(18-4)6-5-7-16-13/h5-7,10H,8-9,15H2,1-4H3
InChIKeyKKYDCQWRGUZZDH-UHFFFAOYSA-N
XLogP1.86
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-amino-3-(2-methoxyphenyl)butanoate
CID 142451328
tert-butyl 4-amino-3-(4-pyridin-2-ylphenyl)butanoate
CID 57256728
(2R)-2-amino-2-(3-methoxy-2-pyridinyl)ethanol
CID 96850177
tert-butyl (2R,3S)-2-amino-3-hydroxy-3-(3-methyl-2-pyridinyl)propanoate
CID 125456367
2-amino-2-(3-methoxy-2-pyridinyl)acetic acid
CID 55295273
tert-butyl 3-(2-methoxyphenyl)sulfanylpropanoate
CID 113227654
tert-butyl 4-amino-3-methoxybutanoate
CID 102921115
methyl 4-amino-3-quinolin-8-ylbutanoate
CID 66098918
tert-butyl (2R,3R)-2-amino-3-hydroxy-3-[3-(trifluoromethyl)-2-pyridinyl]propanoate
CID 125456376
2,2-difluoro-1-(3-methoxy-2-pyridinyl)propan-1-amine
CID 130650453
2-ethoxy-2-ethyl-1-(3-methoxy-2-pyridinyl)butan-1-ol
CID 114053788
tert-butyl 3-amino-4-hydroxy-5-pyridin-2-yloxypentanoate
CID 174656656

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-amino-3-(3-methoxy-2-pyridinyl)butanoate?
The IUPAC name of tert-butyl 4-amino-3-(3-methoxy-2-pyridinyl)butanoate (CID 142451308) is tert-butyl 4-amino-3-(3-methoxy-2-pyridinyl)butanoate.
What is the SMILES notation for tert-butyl 4-amino-3-(3-methoxy-2-pyridinyl)butanoate?
The canonical SMILES for tert-butyl 4-amino-3-(3-methoxy-2-pyridinyl)butanoate is COc1cccnc1C(CN)CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-amino-3-(3-methoxy-2-pyridinyl)butanoate?
The InChIKey is KKYDCQWRGUZZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-14(2,3)19-12(17)8-10(9-15)13-11(18-4)6-5-7-16-13/h5-7,10H,8-9,15H2,1-4H3.
What are the key properties of tert-butyl 4-amino-3-(3-methoxy-2-pyridinyl)butanoate?
tert-butyl 4-amino-3-(3-methoxy-2-pyridinyl)butanoate has a molecular weight of 266.34 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-amino-3-(3-methoxy-2-pyridinyl)butanoate is sourced from PubChem (CID 142451308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).