methyl 2-[(3R)-3-(4-pyridin-3-yloxybutanoylamino)oxolan-3-yl]acetate

C16H22N2O5 — CID 99784600

IUPACmethyl 2-[(3R)-3-(4-pyridin-3-yloxybutanoylamino)oxolan-3-yl]acetate
SMILESCOC(=O)C[C@]1(NC(=O)CCCOc2cccnc2)CCOC1
InChIInChI=1S/C16H22N2O5/c1-21-15(20)10-16(6-9-22-12-16)18-14(19)5-3-8-23-13-4-2-7-17-11-13/h2,4,7,11H,3,5-6,8-10,12H2,1H3,(H,18,19)/t16-/m1/s1
InChIKeyGFXQAAUFBVJHQV-MRXNPFEDSA-N
MW322.36 g/mol
LogP1.08
Rot. Bonds8

About methyl 2-[(3R)-3-(4-pyridin-3-yloxybutanoylamino)oxolan-3-yl]acetate

methyl 2-[(3R)-3-(4-pyridin-3-yloxybutanoylamino)oxolan-3-yl]acetate (PubChem CID 99784600) has the molecular formula C16H22N2O5 and a molecular weight of 322.36 g/mol. Its IUPAC name is methyl 2-[(3R)-3-(4-pyridin-3-yloxybutanoylamino)oxolan-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(3R)-3-(4-pyridin-3-yloxybutanoylamino)oxolan-3-yl]acetate
PubChem CID99784600
Molecular FormulaC16H22N2O5
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Namemethyl 2-[(3R)-3-(4-pyridin-3-yloxybutanoylamino)oxolan-3-yl]acetate
SMILESCOC(=O)C[C@]1(NC(=O)CCCOc2cccnc2)CCOC1
InChIInChI=1S/C16H22N2O5/c1-21-15(20)10-16(6-9-22-12-16)18-14(19)5-3-8-23-13-4-2-7-17-11-13/h2,4,7,11H,3,5-6,8-10,12H2,1H3,(H,18,19)/t16-/m1/s1
InChIKeyGFXQAAUFBVJHQV-MRXNPFEDSA-N
XLogP1.08
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl 2-[(3R)-3-(4-pyridin-3-yloxybutanoylamino)oxolan-3-yl]acetate with MolForge

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Related Compounds

N-[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]-4-pyridin-3-yloxybutanamide
CID 167832965
N-(2-hydroxyphenyl)-4-pyridin-3-yloxybutanamide
CID 110487034
N-(3-hydroxyphenyl)-4-pyridin-3-yloxybutanamide
CID 110487035
2-[4-[4-(4-acetylphenoxy)butanoylamino]oxan-4-yl]acetic acid
CID 119214907
N,N-dimethyl-4-pyridin-3-yloxybutanamide
CID 110486958
butyl N-[1-(pyridin-3-yloxymethyl)cyclopropyl]carbamate
CID 142668388
2-[(3S)-oxan-3-yl]-N-(3-pyridin-3-yloxypropyl)acetamide
CID 126425334
2-[4-[4-(2-methylphenoxy)butanoylamino]oxan-4-yl]acetic acid
CID 119215592
3-hydroxy-2-(4-pyridin-3-yloxybutanoylamino)propanoic acid
CID 110486969
(2R)-2-methyl-N-(3-pyridin-3-yloxypropyl)oxolane-2-carboxamide
CID 126429271
(2S)-2-methyl-N-(3-pyridin-3-yloxypropyl)oxolane-2-carboxamide
CID 126429268
2-(1-hydroxycyclopentyl)-N-(2-pyridin-3-yloxyethyl)acetamide
CID 111538743

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3R)-3-(4-pyridin-3-yloxybutanoylamino)oxolan-3-yl]acetate?
The IUPAC name of methyl 2-[(3R)-3-(4-pyridin-3-yloxybutanoylamino)oxolan-3-yl]acetate (CID 99784600) is methyl 2-[(3R)-3-(4-pyridin-3-yloxybutanoylamino)oxolan-3-yl]acetate.
What is the SMILES notation for methyl 2-[(3R)-3-(4-pyridin-3-yloxybutanoylamino)oxolan-3-yl]acetate?
The canonical SMILES for methyl 2-[(3R)-3-(4-pyridin-3-yloxybutanoylamino)oxolan-3-yl]acetate is COC(=O)C[C@]1(NC(=O)CCCOc2cccnc2)CCOC1.
What is the InChIKey of methyl 2-[(3R)-3-(4-pyridin-3-yloxybutanoylamino)oxolan-3-yl]acetate?
The InChIKey is GFXQAAUFBVJHQV-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H22N2O5/c1-21-15(20)10-16(6-9-22-12-16)18-14(19)5-3-8-23-13-4-2-7-17-11-13/h2,4,7,11H,3,5-6,8-10,12H2,1H3,(H,18,19)/t16-/m1/s1.
What are the key properties of methyl 2-[(3R)-3-(4-pyridin-3-yloxybutanoylamino)oxolan-3-yl]acetate?
methyl 2-[(3R)-3-(4-pyridin-3-yloxybutanoylamino)oxolan-3-yl]acetate has a molecular weight of 322.36 g/mol, XLogP of 1.08, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3R)-3-(4-pyridin-3-yloxybutanoylamino)oxolan-3-yl]acetate is sourced from PubChem (CID 99784600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).