tert-butyl 3-amino-4-hydroxy-5-pyridin-2-yloxypentanoate

C14H22N2O4 — CID 174656656

IUPACtert-butyl 3-amino-4-hydroxy-5-pyridin-2-yloxypentanoate
SMILESCC(C)(C)OC(=O)CC(N)C(O)COc1ccccn1
InChIInChI=1S/C14H22N2O4/c1-14(2,3)20-13(18)8-10(15)11(17)9-19-12-6-4-5-7-16-12/h4-7,10-11,17H,8-9,15H2,1-3H3
InChIKeyHRCHXHCWJAEXAA-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.88
Rot. Bonds6

About tert-butyl 3-amino-4-hydroxy-5-pyridin-2-yloxypentanoate

tert-butyl 3-amino-4-hydroxy-5-pyridin-2-yloxypentanoate (PubChem CID 174656656) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is tert-butyl 3-amino-4-hydroxy-5-pyridin-2-yloxypentanoate.

Molecular Properties

Compound Nametert-butyl 3-amino-4-hydroxy-5-pyridin-2-yloxypentanoate
PubChem CID174656656
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Nametert-butyl 3-amino-4-hydroxy-5-pyridin-2-yloxypentanoate
SMILESCC(C)(C)OC(=O)CC(N)C(O)COc1ccccn1
InChIInChI=1S/C14H22N2O4/c1-14(2,3)20-13(18)8-10(15)11(17)9-19-12-6-4-5-7-16-12/h4-7,10-11,17H,8-9,15H2,1-3H3
InChIKeyHRCHXHCWJAEXAA-UHFFFAOYSA-N
XLogP0.88
TPSA94.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl 3-amino-4-hydroxy-5-pyridin-2-yloxypentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (3S)-3-amino-5-fluoro-4-hydroxypentanoate
CID 88580512
tert-butyl (3S)-3-amino-4,4-dihydroxybutanoate
CID 139456392
tert-butyl (3S)-3-amino-4-hydroxy-5-(2,3,5,6-tetrafluorocyclohexa-1,3-dien-1-yl)oxypentanoate
CID 145399272
tert-butyl 4-amino-3-(4-pyridin-2-ylphenyl)butanoate
CID 57256728
tert-butyl (3R,4S)-3-hydroxy-4-phenylpentanoate
CID 101129799
tert-butyl 4-amino-3-(3-methoxy-2-pyridinyl)butanoate
CID 142451308
tert-butyl 5-amino-5-(pyridin-2-ylamino)pentanoate
CID 174448604
2-(2,2,3-trimethylbutoxy)pyridine
CID 59019418
tert-butyl (3R,4R)-4-(dibenzylamino)-3-hydroxy-5-methylhexanoate
CID 10596976
tert-butyl 3-(pyridin-2-ylmethoxy)propanoate
CID 14833129
methyl 2-pyridin-2-yloxyacetate
CID 45091085
tert-butyl 2-(2-chloro-6-pyridin-2-yl-3-pyridinyl)acetate
CID 58125639

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-amino-4-hydroxy-5-pyridin-2-yloxypentanoate?
The IUPAC name of tert-butyl 3-amino-4-hydroxy-5-pyridin-2-yloxypentanoate (CID 174656656) is tert-butyl 3-amino-4-hydroxy-5-pyridin-2-yloxypentanoate.
What is the SMILES notation for tert-butyl 3-amino-4-hydroxy-5-pyridin-2-yloxypentanoate?
The canonical SMILES for tert-butyl 3-amino-4-hydroxy-5-pyridin-2-yloxypentanoate is CC(C)(C)OC(=O)CC(N)C(O)COc1ccccn1.
What is the InChIKey of tert-butyl 3-amino-4-hydroxy-5-pyridin-2-yloxypentanoate?
The InChIKey is HRCHXHCWJAEXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-14(2,3)20-13(18)8-10(15)11(17)9-19-12-6-4-5-7-16-12/h4-7,10-11,17H,8-9,15H2,1-3H3.
What are the key properties of tert-butyl 3-amino-4-hydroxy-5-pyridin-2-yloxypentanoate?
tert-butyl 3-amino-4-hydroxy-5-pyridin-2-yloxypentanoate has a molecular weight of 282.34 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-amino-4-hydroxy-5-pyridin-2-yloxypentanoate is sourced from PubChem (CID 174656656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).