N-[(3S)-1-(3-hydroxyphenyl)pyrrolidin-3-yl]-2-methoxyacetamide

C13H18N2O3 — CID 177185737

IUPACN-[(3S)-1-(3-hydroxyphenyl)pyrrolidin-3-yl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@H]1CCN(c2cccc(O)c2)C1
InChIInChI=1S/C13H18N2O3/c1-18-9-13(17)14-10-5-6-15(8-10)11-3-2-4-12(16)7-11/h2-4,7,10,16H,5-6,8-9H2,1H3,(H,14,17)/t10-/m0/s1
InChIKeyFJFXDEBFGUOLIL-JTQLQIEISA-N
MW250.30 g/mol
LogP0.73
Rot. Bonds4

About N-[(3S)-1-(3-hydroxyphenyl)pyrrolidin-3-yl]-2-methoxyacetamide

N-[(3S)-1-(3-hydroxyphenyl)pyrrolidin-3-yl]-2-methoxyacetamide (PubChem CID 177185737) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[(3S)-1-(3-hydroxyphenyl)pyrrolidin-3-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[(3S)-1-(3-hydroxyphenyl)pyrrolidin-3-yl]-2-methoxyacetamide
PubChem CID177185737
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-[(3S)-1-(3-hydroxyphenyl)pyrrolidin-3-yl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@H]1CCN(c2cccc(O)c2)C1
InChIInChI=1S/C13H18N2O3/c1-18-9-13(17)14-10-5-6-15(8-10)11-3-2-4-12(16)7-11/h2-4,7,10,16H,5-6,8-9H2,1H3,(H,14,17)/t10-/m0/s1
InChIKeyFJFXDEBFGUOLIL-JTQLQIEISA-N
XLogP0.73
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methoxyacetamide
CID 110479175
5-oxo-5-[(1-phenylpyrrolidin-3-yl)amino]pentanoic acid
CID 110482682
N-(1-phenylpyrrolidin-3-yl)pentanamide
CID 110479420
2-methoxy-N-[1-(4-nitrophenyl)piperidin-4-yl]acetamide
CID 47054291
N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-2-methoxyacetamide
CID 51099314
2-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]acetamide
CID 119884236
ethane;2-(4-methylphenyl)-N-(1-phenylpyrrolidin-3-yl)acetamide
CID 167597146
N-[1-(3-bromophenyl)piperidin-4-yl]-2-methoxyacetamide;2-methoxy-N-[1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidin-4-yl]acetamide
CID 161119255
2-methoxy-N-[(3R)-1-methylpyrrolidin-3-yl]acetamide
CID 90442595
N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-4-hydroxybutanamide
CID 110480296
N-[(3S)-1-(3-chlorophenyl)pyrrolidin-3-yl]-5-hydroxypentanamide
CID 97255932
N-[1-(3-hydroxybenzoyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide
CID 108557789

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(3-hydroxyphenyl)pyrrolidin-3-yl]-2-methoxyacetamide?
The IUPAC name of N-[(3S)-1-(3-hydroxyphenyl)pyrrolidin-3-yl]-2-methoxyacetamide (CID 177185737) is N-[(3S)-1-(3-hydroxyphenyl)pyrrolidin-3-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[(3S)-1-(3-hydroxyphenyl)pyrrolidin-3-yl]-2-methoxyacetamide?
The canonical SMILES for N-[(3S)-1-(3-hydroxyphenyl)pyrrolidin-3-yl]-2-methoxyacetamide is COCC(=O)N[C@H]1CCN(c2cccc(O)c2)C1.
What is the InChIKey of N-[(3S)-1-(3-hydroxyphenyl)pyrrolidin-3-yl]-2-methoxyacetamide?
The InChIKey is FJFXDEBFGUOLIL-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18N2O3/c1-18-9-13(17)14-10-5-6-15(8-10)11-3-2-4-12(16)7-11/h2-4,7,10,16H,5-6,8-9H2,1H3,(H,14,17)/t10-/m0/s1.
What are the key properties of N-[(3S)-1-(3-hydroxyphenyl)pyrrolidin-3-yl]-2-methoxyacetamide?
N-[(3S)-1-(3-hydroxyphenyl)pyrrolidin-3-yl]-2-methoxyacetamide has a molecular weight of 250.30 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(3-hydroxyphenyl)pyrrolidin-3-yl]-2-methoxyacetamide is sourced from PubChem (CID 177185737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).