methyl 4-(5-amino-2-pyridinyl)-3,4-dihydroxybutanoate

C10H14N2O4 — CID 171895049

IUPACmethyl 4-(5-amino-2-pyridinyl)-3,4-dihydroxybutanoate
SMILESCOC(=O)CC(O)C(O)c1ccc(N)cn1
InChIInChI=1S/C10H14N2O4/c1-16-9(14)4-8(13)10(15)7-3-2-6(11)5-12-7/h2-3,5,8,10,13,15H,4,11H2,1H3
InChIKeyCDRPRYPOMBVXJQ-UHFFFAOYSA-N
MW226.23 g/mol
LogP-0.38
Rot. Bonds4

About methyl 4-(5-amino-2-pyridinyl)-3,4-dihydroxybutanoate

methyl 4-(5-amino-2-pyridinyl)-3,4-dihydroxybutanoate (PubChem CID 171895049) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is methyl 4-(5-amino-2-pyridinyl)-3,4-dihydroxybutanoate.

Molecular Properties

Compound Namemethyl 4-(5-amino-2-pyridinyl)-3,4-dihydroxybutanoate
PubChem CID171895049
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Namemethyl 4-(5-amino-2-pyridinyl)-3,4-dihydroxybutanoate
SMILESCOC(=O)CC(O)C(O)c1ccc(N)cn1
InChIInChI=1S/C10H14N2O4/c1-16-9(14)4-8(13)10(15)7-3-2-6(11)5-12-7/h2-3,5,8,10,13,15H,4,11H2,1H3
InChIKeyCDRPRYPOMBVXJQ-UHFFFAOYSA-N
XLogP-0.38
TPSA105.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-(5-amino-2-pyridinyl)-2,3-dihydroxypropanoate
CID 171863534
methyl 3-[(5-amino-2-pyridinyl)sulfanyl]butanoate
CID 61318239
methyl 4-(2-aminopyrimidin-5-yl)-3,4-dihydroxybutanoate
CID 171895107
methyl 4-(6-chloropyridazin-3-yl)-3,4-dihydroxybutanoate
CID 171896642
methyl 4-(6-hydrazinyl-3-pyridinyl)-3,4-dihydroxybutanoate
CID 171895400
methyl 4-(5-amino-2-methoxyphenyl)-3,4-dihydroxybutanoate
CID 171895718
methyl 4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]-3,4-dihydroxybutanoate
CID 171895585
methyl 3,4-dihydroxy-4-[2-(trifluoromethyl)pyrimidin-5-yl]butanoate
CID 171895954
methyl (3R)-3-amino-3-(5-hydroxy-2-pyridinyl)propanoate
CID 55276746
methyl 3-[[2-(5-amino-2-pyridinyl)acetyl]amino]butanoate
CID 120618929
6-amino-5-(1,2-dihydroxy-4-methoxy-4-oxobutyl)pyridine-3-carboxylic acid
CID 171895967
methyl 2-amino-3-(1,2-dihydroxy-4-methoxy-4-oxobutyl)benzoate
CID 171896268

Frequently Asked Questions

What is the IUPAC name of methyl 4-(5-amino-2-pyridinyl)-3,4-dihydroxybutanoate?
The IUPAC name of methyl 4-(5-amino-2-pyridinyl)-3,4-dihydroxybutanoate (CID 171895049) is methyl 4-(5-amino-2-pyridinyl)-3,4-dihydroxybutanoate.
What is the SMILES notation for methyl 4-(5-amino-2-pyridinyl)-3,4-dihydroxybutanoate?
The canonical SMILES for methyl 4-(5-amino-2-pyridinyl)-3,4-dihydroxybutanoate is COC(=O)CC(O)C(O)c1ccc(N)cn1.
What is the InChIKey of methyl 4-(5-amino-2-pyridinyl)-3,4-dihydroxybutanoate?
The InChIKey is CDRPRYPOMBVXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-16-9(14)4-8(13)10(15)7-3-2-6(11)5-12-7/h2-3,5,8,10,13,15H,4,11H2,1H3.
What are the key properties of methyl 4-(5-amino-2-pyridinyl)-3,4-dihydroxybutanoate?
methyl 4-(5-amino-2-pyridinyl)-3,4-dihydroxybutanoate has a molecular weight of 226.23 g/mol, XLogP of -0.38, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(5-amino-2-pyridinyl)-3,4-dihydroxybutanoate is sourced from PubChem (CID 171895049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).