N-[(2R)-1-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-4-methoxy-1-oxobutan-2-yl]acetamide

C17H31N3O3 — CID 95336835

IUPACN-[(2R)-1-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-4-methoxy-1-oxobutan-2-yl]acetamide
SMILESCCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@@H](CCOC)NC(C)=O
InChIInChI=1S/C17H31N3O3/c1-4-19-10-5-7-15(19)16-8-6-11-20(16)17(22)14(9-12-23-3)18-13(2)21/h14-16H,4-12H2,1-3H3,(H,18,21)/t14-,15-,16+/m1/s1
InChIKeyLRMMIQWQLVNKIM-OAGGEKHMSA-N
MW325.45 g/mol
LogP1.00
Rot. Bonds7

About N-[(2R)-1-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-4-methoxy-1-oxobutan-2-yl]acetamide

N-[(2R)-1-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-4-methoxy-1-oxobutan-2-yl]acetamide (PubChem CID 95336835) has the molecular formula C17H31N3O3 and a molecular weight of 325.45 g/mol. Its IUPAC name is N-[(2R)-1-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-4-methoxy-1-oxobutan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-1-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-4-methoxy-1-oxobutan-2-yl]acetamide
PubChem CID95336835
Molecular FormulaC17H31N3O3
Molecular Weight325.45 g/mol
Exact Mass325.24
IUPAC NameN-[(2R)-1-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-4-methoxy-1-oxobutan-2-yl]acetamide
SMILESCCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@@H](CCOC)NC(C)=O
InChIInChI=1S/C17H31N3O3/c1-4-19-10-5-7-15(19)16-8-6-11-20(16)17(22)14(9-12-23-3)18-13(2)21/h14-16H,4-12H2,1-3H3,(H,18,21)/t14-,15-,16+/m1/s1
InChIKeyLRMMIQWQLVNKIM-OAGGEKHMSA-N
XLogP1.00
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-methylsulfanylpropan-1-one
CID 95323894
(2S)-1-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-morpholin-4-ylpropan-1-one
CID 129446622
(3S)-1-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-3-methoxybutan-1-one
CID 129428215
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonylamino)-4-methoxybutanoic acid
CID 65320187
[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 129430336
2-[(2S)-1-acetylpiperidin-2-yl]-1-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 129426701
[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(3-methoxythiophen-2-yl)methanone
CID 129430320
2-amino-4-methoxy-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 62472696
1-[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 129430447
1-[2-(1-ethylpyrrolidin-2-yl)pyrrolidin-1-yl]-3-(2,2,2-trifluoroethylamino)propan-1-one
CID 56780300
2-[(2-ethylpiperidine-1-carbonyl)amino]-4-methoxybutanoic acid
CID 62480415
2-acetamido-3-(2-ethylpyrrolidin-1-yl)propanoic acid
CID 64581919

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-4-methoxy-1-oxobutan-2-yl]acetamide?
The IUPAC name of N-[(2R)-1-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-4-methoxy-1-oxobutan-2-yl]acetamide (CID 95336835) is N-[(2R)-1-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-4-methoxy-1-oxobutan-2-yl]acetamide.
What is the SMILES notation for N-[(2R)-1-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-4-methoxy-1-oxobutan-2-yl]acetamide?
The canonical SMILES for N-[(2R)-1-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-4-methoxy-1-oxobutan-2-yl]acetamide is CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@@H](CCOC)NC(C)=O.
What is the InChIKey of N-[(2R)-1-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-4-methoxy-1-oxobutan-2-yl]acetamide?
The InChIKey is LRMMIQWQLVNKIM-OAGGEKHMSA-N. The full InChI is InChI=1S/C17H31N3O3/c1-4-19-10-5-7-15(19)16-8-6-11-20(16)17(22)14(9-12-23-3)18-13(2)21/h14-16H,4-12H2,1-3H3,(H,18,21)/t14-,15-,16+/m1/s1.
What are the key properties of N-[(2R)-1-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-4-methoxy-1-oxobutan-2-yl]acetamide?
N-[(2R)-1-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-4-methoxy-1-oxobutan-2-yl]acetamide has a molecular weight of 325.45 g/mol, XLogP of 1.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-4-methoxy-1-oxobutan-2-yl]acetamide is sourced from PubChem (CID 95336835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).