methyl 2-amino-5-(3-amino-1,2-dihydroxy-3-oxopropyl)pyridine-3-carboxylate

C10H13N3O5 — CID 171868795

IUPACmethyl 2-amino-5-(3-amino-1,2-dihydroxy-3-oxopropyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cc(C(O)C(O)C(N)=O)cnc1N
InChIInChI=1S/C10H13N3O5/c1-18-10(17)5-2-4(3-13-8(5)11)6(14)7(15)9(12)16/h2-3,6-7,14-15H,1H3,(H2,11,13)(H2,12,16)
InChIKeyMYZSNGUOTWRMTB-UHFFFAOYSA-N
MW255.23 g/mol
LogP-1.67
Rot. Bonds4

About methyl 2-amino-5-(3-amino-1,2-dihydroxy-3-oxopropyl)pyridine-3-carboxylate

methyl 2-amino-5-(3-amino-1,2-dihydroxy-3-oxopropyl)pyridine-3-carboxylate (PubChem CID 171868795) has the molecular formula C10H13N3O5 and a molecular weight of 255.23 g/mol. Its IUPAC name is methyl 2-amino-5-(3-amino-1,2-dihydroxy-3-oxopropyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-5-(3-amino-1,2-dihydroxy-3-oxopropyl)pyridine-3-carboxylate
PubChem CID171868795
Molecular FormulaC10H13N3O5
Molecular Weight255.23 g/mol
Exact Mass255.09
IUPAC Namemethyl 2-amino-5-(3-amino-1,2-dihydroxy-3-oxopropyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cc(C(O)C(O)C(N)=O)cnc1N
InChIInChI=1S/C10H13N3O5/c1-18-10(17)5-2-4(3-13-8(5)11)6(14)7(15)9(12)16/h2-3,6-7,14-15H,1H3,(H2,11,13)(H2,12,16)
InChIKeyMYZSNGUOTWRMTB-UHFFFAOYSA-N
XLogP-1.67
TPSA148.76 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 5-1.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-amino-5-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)pyridine-3-carboxylate
CID 171866731
methyl 2-amino-5-(1,2-dihydroxy-4-sulfanylbutyl)pyridine-3-carboxylate
CID 171874724
methyl 2-amino-5-(4-amino-1,2-dihydroxy-4-oxobutyl)pyridine-3-carboxylate
CID 171899806
methyl 2-amino-5-(3-amino-1,2-dihydroxy-3-oxopropyl)benzoate
CID 171868834
methyl 5-(4-acetamido-1,2-dihydroxybutyl)-2-aminopyridine-3-carboxylate
CID 171883681
methyl 2,5-diaminopyridine-3-carboxylate
CID 83792494
methyl 5-(1,2-dihydroxy-3-methoxy-3-oxopropyl)pyrimidine-2-carboxylate
CID 171864430
3-(5-amino-3-pyridinyl)-2,3-dihydroxypropanamide
CID 171867613
ethane;methyl 2-amino-5-(trifluoromethyl)pyridine-3-carboxylate
CID 156850074
methyl 2-amino-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxylate
CID 175275086
methyl 4-(1,2-dihydroxy-3-methoxy-3-oxopropyl)pyridine-2-carboxylate
CID 171864522
methyl 5-(3-bromo-1,2-dihydroxypropyl)-2-fluoropyridine-3-carboxylate
CID 171860646

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-(3-amino-1,2-dihydroxy-3-oxopropyl)pyridine-3-carboxylate?
The IUPAC name of methyl 2-amino-5-(3-amino-1,2-dihydroxy-3-oxopropyl)pyridine-3-carboxylate (CID 171868795) is methyl 2-amino-5-(3-amino-1,2-dihydroxy-3-oxopropyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-amino-5-(3-amino-1,2-dihydroxy-3-oxopropyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-amino-5-(3-amino-1,2-dihydroxy-3-oxopropyl)pyridine-3-carboxylate is COC(=O)c1cc(C(O)C(O)C(N)=O)cnc1N.
What is the InChIKey of methyl 2-amino-5-(3-amino-1,2-dihydroxy-3-oxopropyl)pyridine-3-carboxylate?
The InChIKey is MYZSNGUOTWRMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5/c1-18-10(17)5-2-4(3-13-8(5)11)6(14)7(15)9(12)16/h2-3,6-7,14-15H,1H3,(H2,11,13)(H2,12,16).
What are the key properties of methyl 2-amino-5-(3-amino-1,2-dihydroxy-3-oxopropyl)pyridine-3-carboxylate?
methyl 2-amino-5-(3-amino-1,2-dihydroxy-3-oxopropyl)pyridine-3-carboxylate has a molecular weight of 255.23 g/mol, XLogP of -1.67, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-(3-amino-1,2-dihydroxy-3-oxopropyl)pyridine-3-carboxylate is sourced from PubChem (CID 171868795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).