methyl 5-[(1R)-1-amino-2-hydroxyethyl]pyridine-2-carboxylate

C9H12N2O3 — CID 131869040

IUPACmethyl 5-[(1R)-1-amino-2-hydroxyethyl]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc([C@@H](N)CO)cn1
InChIInChI=1S/C9H12N2O3/c1-14-9(13)8-3-2-6(4-11-8)7(10)5-12/h2-4,7,12H,5,10H2,1H3/t7-/m0/s1
InChIKeyJLUKFVWYTVVPFH-ZETCQYMHSA-N
MW196.21 g/mol
LogP-0.14
Rot. Bonds3

About methyl 5-[(1R)-1-amino-2-hydroxyethyl]pyridine-2-carboxylate

methyl 5-[(1R)-1-amino-2-hydroxyethyl]pyridine-2-carboxylate (PubChem CID 131869040) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is methyl 5-[(1R)-1-amino-2-hydroxyethyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(1R)-1-amino-2-hydroxyethyl]pyridine-2-carboxylate
PubChem CID131869040
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Namemethyl 5-[(1R)-1-amino-2-hydroxyethyl]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc([C@@H](N)CO)cn1
InChIInChI=1S/C9H12N2O3/c1-14-9(13)8-3-2-6(4-11-8)7(10)5-12/h2-4,7,12H,5,10H2,1H3/t7-/m0/s1
InChIKeyJLUKFVWYTVVPFH-ZETCQYMHSA-N
XLogP-0.14
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-(1-aminoethyl)pyridine-2-carboxylate;hydrochloride
CID 175154061
methyl 5-(hydroxymethyl)pyridine-2-carboxylate
CID 18974051
2-bromo-5-(difluoromethyl)pyridine;methyl 5-(difluoromethyl)pyridine-2-carboxylate
CID 158558358
methyl 5-(6-methoxycarbonyl-3-pyridinyl)pyridine-2-carboxylate
CID 46738787
methyl 5-(2-cyano-1,2-dihydroxyethyl)pyridine-2-carboxylate
CID 171870683
(2S)-2-amino-2-(6-methyl-3-pyridinyl)ethanol;dihydrochloride
CID 67034159
methyl 5-[(1R)-1-amino-2-hydroxyethyl]-2-chlorobenzoate;hydrochloride
CID 133268754
methyl 5-[(1S)-1-amino-2-hydroxyethyl]-2-chlorobenzoate;hydrochloride
CID 91825956
methyl 5-chloropyridine-2-carboxylate
CID 11298216
methyl 5-bromopyridine-2-carboxylate
CID 7016458
(2S)-2-amino-2-[6-(hydroxymethyl)-3-pyridinyl]ethanol
CID 55263220
5-(1,2-diaminoethyl)pyridine-2-carboxylic acid
CID 55292974

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(1R)-1-amino-2-hydroxyethyl]pyridine-2-carboxylate?
The IUPAC name of methyl 5-[(1R)-1-amino-2-hydroxyethyl]pyridine-2-carboxylate (CID 131869040) is methyl 5-[(1R)-1-amino-2-hydroxyethyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-[(1R)-1-amino-2-hydroxyethyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-[(1R)-1-amino-2-hydroxyethyl]pyridine-2-carboxylate is COC(=O)c1ccc([C@@H](N)CO)cn1.
What is the InChIKey of methyl 5-[(1R)-1-amino-2-hydroxyethyl]pyridine-2-carboxylate?
The InChIKey is JLUKFVWYTVVPFH-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-14-9(13)8-3-2-6(4-11-8)7(10)5-12/h2-4,7,12H,5,10H2,1H3/t7-/m0/s1.
What are the key properties of methyl 5-[(1R)-1-amino-2-hydroxyethyl]pyridine-2-carboxylate?
methyl 5-[(1R)-1-amino-2-hydroxyethyl]pyridine-2-carboxylate has a molecular weight of 196.21 g/mol, XLogP of -0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(1R)-1-amino-2-hydroxyethyl]pyridine-2-carboxylate is sourced from PubChem (CID 131869040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).