4-(2-amino-5-methoxycarbonyl-3-pyridinyl)-3,4-dihydroxybutanoic acid

C11H14N2O6 — CID 171878308

IUPAC4-(2-amino-5-methoxycarbonyl-3-pyridinyl)-3,4-dihydroxybutanoic acid
SMILESCOC(=O)c1cnc(N)c(C(O)C(O)CC(=O)O)c1
InChIInChI=1S/C11H14N2O6/c1-19-11(18)5-2-6(10(12)13-4-5)9(17)7(14)3-8(15)16/h2,4,7,9,14,17H,3H2,1H3,(H2,12,13)(H,15,16)
InChIKeyFDARQKQWRMHCBC-UHFFFAOYSA-N
MW270.24 g/mol
LogP-0.68
Rot. Bonds5

About 4-(2-amino-5-methoxycarbonyl-3-pyridinyl)-3,4-dihydroxybutanoic acid

4-(2-amino-5-methoxycarbonyl-3-pyridinyl)-3,4-dihydroxybutanoic acid (PubChem CID 171878308) has the molecular formula C11H14N2O6 and a molecular weight of 270.24 g/mol. Its IUPAC name is 4-(2-amino-5-methoxycarbonyl-3-pyridinyl)-3,4-dihydroxybutanoic acid.

Molecular Properties

Compound Name4-(2-amino-5-methoxycarbonyl-3-pyridinyl)-3,4-dihydroxybutanoic acid
PubChem CID171878308
Molecular FormulaC11H14N2O6
Molecular Weight270.24 g/mol
Exact Mass270.09
IUPAC Name4-(2-amino-5-methoxycarbonyl-3-pyridinyl)-3,4-dihydroxybutanoic acid
SMILESCOC(=O)c1cnc(N)c(C(O)C(O)CC(=O)O)c1
InChIInChI=1S/C11H14N2O6/c1-19-11(18)5-2-6(10(12)13-4-5)9(17)7(14)3-8(15)16/h2,4,7,9,14,17H,3H2,1H3,(H2,12,13)(H,15,16)
InChIKeyFDARQKQWRMHCBC-UHFFFAOYSA-N
XLogP-0.68
TPSA142.97 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 5-0.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 6-amino-5-(4-amino-1,2-dihydroxybutyl)pyridine-3-carboxylate
CID 171881890
6-amino-5-(1,2-dihydroxy-4-methoxy-4-oxobutyl)pyridine-3-carboxylic acid
CID 171895967
methyl 6-amino-5-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]pyridine-3-carboxylate
CID 171885474
4-(3-amino-5-methoxycarbonylphenyl)-3,4-dihydroxybutanoic acid
CID 171878356
3,4-dihydroxy-4-(2-hydroxy-4-methoxycarbonylphenyl)butanoic acid
CID 171878826
6-amino-5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carboxylic acid
CID 171901343
2-amino-5-methoxycarbonylpyridine-3-carboxylic acid
CID 130066862
methyl 6-chloro-5-[1,2-dihydroxy-3-(methylamino)propyl]pyridine-3-carboxylate
CID 171858607
methyl 4-(2-amino-5-nitro-3-pyridinyl)-3,4-dihydroxybutanoate
CID 171896095
4-(2-amino-4-chloropyrimidin-5-yl)-3,4-dihydroxybutanoic acid
CID 171877478
3-(2-chloro-5-methoxycarbonyl-3-pyridinyl)-2,3-dihydroxypropanoic acid
CID 170824623
ethyl 4-(2-amino-5-chloro-3-pyridinyl)-3,4-dihydroxybutanoate
CID 171897021

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-5-methoxycarbonyl-3-pyridinyl)-3,4-dihydroxybutanoic acid?
The IUPAC name of 4-(2-amino-5-methoxycarbonyl-3-pyridinyl)-3,4-dihydroxybutanoic acid (CID 171878308) is 4-(2-amino-5-methoxycarbonyl-3-pyridinyl)-3,4-dihydroxybutanoic acid.
What is the SMILES notation for 4-(2-amino-5-methoxycarbonyl-3-pyridinyl)-3,4-dihydroxybutanoic acid?
The canonical SMILES for 4-(2-amino-5-methoxycarbonyl-3-pyridinyl)-3,4-dihydroxybutanoic acid is COC(=O)c1cnc(N)c(C(O)C(O)CC(=O)O)c1.
What is the InChIKey of 4-(2-amino-5-methoxycarbonyl-3-pyridinyl)-3,4-dihydroxybutanoic acid?
The InChIKey is FDARQKQWRMHCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O6/c1-19-11(18)5-2-6(10(12)13-4-5)9(17)7(14)3-8(15)16/h2,4,7,9,14,17H,3H2,1H3,(H2,12,13)(H,15,16).
What are the key properties of 4-(2-amino-5-methoxycarbonyl-3-pyridinyl)-3,4-dihydroxybutanoic acid?
4-(2-amino-5-methoxycarbonyl-3-pyridinyl)-3,4-dihydroxybutanoic acid has a molecular weight of 270.24 g/mol, XLogP of -0.68, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-5-methoxycarbonyl-3-pyridinyl)-3,4-dihydroxybutanoic acid is sourced from PubChem (CID 171878308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).