N-[(2R)-2-cyclopropyl-1-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide

C18H31N3O3 — CID 97026197

IUPACN-[(2R)-2-cyclopropyl-1-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide
SMILESCC[C@@H]1CN(C(=O)[C@](C)(NC(C)=O)C2CC2)C[C@@H]1N1CCOCC1
InChIInChI=1S/C18H31N3O3/c1-4-14-11-21(12-16(14)20-7-9-24-10-8-20)17(23)18(3,15-5-6-15)19-13(2)22/h14-16H,4-12H2,1-3H3,(H,19,22)/t14-,16+,18-/m1/s1
InChIKeyXGEDIGUKMQIZGI-UWWQBHOKSA-N
MW337.46 g/mol
LogP0.86
Rot. Bonds5

About N-[(2R)-2-cyclopropyl-1-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide

N-[(2R)-2-cyclopropyl-1-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide (PubChem CID 97026197) has the molecular formula C18H31N3O3 and a molecular weight of 337.46 g/mol. Its IUPAC name is N-[(2R)-2-cyclopropyl-1-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-2-cyclopropyl-1-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide
PubChem CID97026197
Molecular FormulaC18H31N3O3
Molecular Weight337.46 g/mol
Exact Mass337.24
IUPAC NameN-[(2R)-2-cyclopropyl-1-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide
SMILESCC[C@@H]1CN(C(=O)[C@](C)(NC(C)=O)C2CC2)C[C@@H]1N1CCOCC1
InChIInChI=1S/C18H31N3O3/c1-4-14-11-21(12-16(14)20-7-9-24-10-8-20)17(23)18(3,15-5-6-15)19-13(2)22/h14-16H,4-12H2,1-3H3,(H,19,22)/t14-,16+,18-/m1/s1
InChIKeyXGEDIGUKMQIZGI-UWWQBHOKSA-N
XLogP0.86
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-cyclopropyl-1-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide?
The IUPAC name of N-[(2R)-2-cyclopropyl-1-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide (CID 97026197) is N-[(2R)-2-cyclopropyl-1-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide.
What is the SMILES notation for N-[(2R)-2-cyclopropyl-1-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide?
The canonical SMILES for N-[(2R)-2-cyclopropyl-1-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide is CC[C@@H]1CN(C(=O)[C@](C)(NC(C)=O)C2CC2)C[C@@H]1N1CCOCC1.
What is the InChIKey of N-[(2R)-2-cyclopropyl-1-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide?
The InChIKey is XGEDIGUKMQIZGI-UWWQBHOKSA-N. The full InChI is InChI=1S/C18H31N3O3/c1-4-14-11-21(12-16(14)20-7-9-24-10-8-20)17(23)18(3,15-5-6-15)19-13(2)22/h14-16H,4-12H2,1-3H3,(H,19,22)/t14-,16+,18-/m1/s1.
What are the key properties of N-[(2R)-2-cyclopropyl-1-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide?
N-[(2R)-2-cyclopropyl-1-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide has a molecular weight of 337.46 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-cyclopropyl-1-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide is sourced from PubChem (CID 97026197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).