methyl 2-(3-amino-1,2-dihydroxy-3-oxopropyl)pyridine-4-carboxylate

C10H12N2O5 — CID 171868625

IUPACmethyl 2-(3-amino-1,2-dihydroxy-3-oxopropyl)pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(C(O)C(O)C(N)=O)c1
InChIInChI=1S/C10H12N2O5/c1-17-10(16)5-2-3-12-6(4-5)7(13)8(14)9(11)15/h2-4,7-8,13-14H,1H3,(H2,11,15)
InChIKeyPVCWJMMMYUTKJS-UHFFFAOYSA-N
MW240.22 g/mol
LogP-1.25
Rot. Bonds4

About methyl 2-(3-amino-1,2-dihydroxy-3-oxopropyl)pyridine-4-carboxylate

methyl 2-(3-amino-1,2-dihydroxy-3-oxopropyl)pyridine-4-carboxylate (PubChem CID 171868625) has the molecular formula C10H12N2O5 and a molecular weight of 240.22 g/mol. Its IUPAC name is methyl 2-(3-amino-1,2-dihydroxy-3-oxopropyl)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3-amino-1,2-dihydroxy-3-oxopropyl)pyridine-4-carboxylate
PubChem CID171868625
Molecular FormulaC10H12N2O5
Molecular Weight240.22 g/mol
Exact Mass240.07
IUPAC Namemethyl 2-(3-amino-1,2-dihydroxy-3-oxopropyl)pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(C(O)C(O)C(N)=O)c1
InChIInChI=1S/C10H12N2O5/c1-17-10(16)5-2-3-12-6(4-5)7(13)8(14)9(11)15/h2-4,7-8,13-14H,1H3,(H2,11,15)
InChIKeyPVCWJMMMYUTKJS-UHFFFAOYSA-N
XLogP-1.25
TPSA122.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 5-1.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[(1R)-1,2-dihydroxyethyl]pyridine-4-carboxylate
CID 162911096
methyl 2-(3-acetylsulfanyl-1,2-dihydroxypropyl)pyridine-4-carboxylate
CID 170822396
methyl 2-(4-acetylsulfanyl-1,2-dihydroxybutyl)pyridine-4-carboxylate
CID 171876346
methyl 2-(4-azido-1,2-dihydroxybutyl)pyridine-4-carboxylate
CID 171879927
methyl 3-(4-amino-2-pyridinyl)-2,3-dihydroxypropanoate
CID 171863533
3-(4-formyl-2-pyridinyl)-2,3-dihydroxypropanamide
CID 171867942
methyl 3-(4-chloro-2-pyridinyl)-2,3-dihydroxypropanoate
CID 171863547
2,3-dihydroxy-3-pyridin-2-ylpropanamide
CID 171867575
methyl 4-(1,2-dihydroxy-3-methoxy-3-oxopropyl)pyridine-2-carboxylate
CID 171864522
methyl 2-(phosphanylamino)pyridine-4-carboxylate
CID 22084632
methyl 2-(2-oxodecan-4-yl)pyridine-4-carboxylate
CID 132838409
2-propan-2-ylpyridine-4-carboxamide
CID 53424773

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-amino-1,2-dihydroxy-3-oxopropyl)pyridine-4-carboxylate?
The IUPAC name of methyl 2-(3-amino-1,2-dihydroxy-3-oxopropyl)pyridine-4-carboxylate (CID 171868625) is methyl 2-(3-amino-1,2-dihydroxy-3-oxopropyl)pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-(3-amino-1,2-dihydroxy-3-oxopropyl)pyridine-4-carboxylate?
The canonical SMILES for methyl 2-(3-amino-1,2-dihydroxy-3-oxopropyl)pyridine-4-carboxylate is COC(=O)c1ccnc(C(O)C(O)C(N)=O)c1.
What is the InChIKey of methyl 2-(3-amino-1,2-dihydroxy-3-oxopropyl)pyridine-4-carboxylate?
The InChIKey is PVCWJMMMYUTKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O5/c1-17-10(16)5-2-3-12-6(4-5)7(13)8(14)9(11)15/h2-4,7-8,13-14H,1H3,(H2,11,15).
What are the key properties of methyl 2-(3-amino-1,2-dihydroxy-3-oxopropyl)pyridine-4-carboxylate?
methyl 2-(3-amino-1,2-dihydroxy-3-oxopropyl)pyridine-4-carboxylate has a molecular weight of 240.22 g/mol, XLogP of -1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-amino-1,2-dihydroxy-3-oxopropyl)pyridine-4-carboxylate is sourced from PubChem (CID 171868625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).