1-[(2R,5S)-5-[(2-aminoacetyl)oxymethyl]oxolan-2-yl]-4H-pyridine-3-carboxylic acid

C13H18N2O5 — CID 166537523

IUPAC1-[(2R,5S)-5-[(2-aminoacetyl)oxymethyl]oxolan-2-yl]-4H-pyridine-3-carboxylic acid
SMILESNCC(=O)OC[C@@H]1CC[C@H](N2C=CCC(C(=O)O)=C2)O1
InChIInChI=1S/C13H18N2O5/c14-6-12(16)19-8-10-3-4-11(20-10)15-5-1-2-9(7-15)13(17)18/h1,5,7,10-11H,2-4,6,8,14H2,(H,17,18)/t10-,11+/m0/s1
InChIKeyCVTZCLWHHMQNDO-WDEREUQCSA-N
MW282.30 g/mol
LogP0.18
Rot. Bonds5

About 1-[(2R,5S)-5-[(2-aminoacetyl)oxymethyl]oxolan-2-yl]-4H-pyridine-3-carboxylic acid

1-[(2R,5S)-5-[(2-aminoacetyl)oxymethyl]oxolan-2-yl]-4H-pyridine-3-carboxylic acid (PubChem CID 166537523) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is 1-[(2R,5S)-5-[(2-aminoacetyl)oxymethyl]oxolan-2-yl]-4H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2R,5S)-5-[(2-aminoacetyl)oxymethyl]oxolan-2-yl]-4H-pyridine-3-carboxylic acid
PubChem CID166537523
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Name1-[(2R,5S)-5-[(2-aminoacetyl)oxymethyl]oxolan-2-yl]-4H-pyridine-3-carboxylic acid
SMILESNCC(=O)OC[C@@H]1CC[C@H](N2C=CCC(C(=O)O)=C2)O1
InChIInChI=1S/C13H18N2O5/c14-6-12(16)19-8-10-3-4-11(20-10)15-5-1-2-9(7-15)13(17)18/h1,5,7,10-11H,2-4,6,8,14H2,(H,17,18)/t10-,11+/m0/s1
InChIKeyCVTZCLWHHMQNDO-WDEREUQCSA-N
XLogP0.18
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(2R,5S)-5-[(2-aminoacetyl)oxymethyl]oxolan-2-yl]-4H-pyridine-3-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

methoxymethane;1-[5-[[(E)-4-oxobut-2-enoyl]oxymethyl]oxolan-2-yl]-4H-pyridine-3-carboxylic acid
CID 155746079
[(2S,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methyl butanoate
CID 144971544
[5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methyl pentanoate
CID 145371946
[5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methyl 3-hydroxy-4-oxobutanoate;methanol
CID 142505319
[5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2-aminoacetate
CID 153342279
propan-2-yl 2-[[[5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetate
CID 142505333
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(4-oxo-4-pentan-3-yloxybutanoyl)oxymethyl]oxolan-2-yl]-4H-pyridine-3-carboxylic acid
CID 158730573
1-[(2R,3R,4R,5R)-3,4-diacetyloxy-5-[[(2S)-2-amino-3-methylbutanoyl]oxymethyl]oxolan-2-yl]-4H-pyridine-3-carboxylic acid
CID 154954250
(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-aminoacetate;hydrochloride
CID 19602460
[(2R,3R,4R,5R)-5-(3-acetyl-4H-pyridin-1-yl)-3,4-di(propanoyloxy)oxolan-2-yl]methyl propanoate
CID 174117184
[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl propanoate
CID 67831429
[(2S,5R)-4-benzoyloxy-5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methyl benzoate
CID 144971594

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,5S)-5-[(2-aminoacetyl)oxymethyl]oxolan-2-yl]-4H-pyridine-3-carboxylic acid?
The IUPAC name of 1-[(2R,5S)-5-[(2-aminoacetyl)oxymethyl]oxolan-2-yl]-4H-pyridine-3-carboxylic acid (CID 166537523) is 1-[(2R,5S)-5-[(2-aminoacetyl)oxymethyl]oxolan-2-yl]-4H-pyridine-3-carboxylic acid.
What is the SMILES notation for 1-[(2R,5S)-5-[(2-aminoacetyl)oxymethyl]oxolan-2-yl]-4H-pyridine-3-carboxylic acid?
The canonical SMILES for 1-[(2R,5S)-5-[(2-aminoacetyl)oxymethyl]oxolan-2-yl]-4H-pyridine-3-carboxylic acid is NCC(=O)OC[C@@H]1CC[C@H](N2C=CCC(C(=O)O)=C2)O1.
What is the InChIKey of 1-[(2R,5S)-5-[(2-aminoacetyl)oxymethyl]oxolan-2-yl]-4H-pyridine-3-carboxylic acid?
The InChIKey is CVTZCLWHHMQNDO-WDEREUQCSA-N. The full InChI is InChI=1S/C13H18N2O5/c14-6-12(16)19-8-10-3-4-11(20-10)15-5-1-2-9(7-15)13(17)18/h1,5,7,10-11H,2-4,6,8,14H2,(H,17,18)/t10-,11+/m0/s1.
What are the key properties of 1-[(2R,5S)-5-[(2-aminoacetyl)oxymethyl]oxolan-2-yl]-4H-pyridine-3-carboxylic acid?
1-[(2R,5S)-5-[(2-aminoacetyl)oxymethyl]oxolan-2-yl]-4H-pyridine-3-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of 0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,5S)-5-[(2-aminoacetyl)oxymethyl]oxolan-2-yl]-4H-pyridine-3-carboxylic acid is sourced from PubChem (CID 166537523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).