2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-1-morpholin-4-ylethanone

C13H23N3O2 — CID 72900917

IUPAC2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-1-morpholin-4-ylethanone
SMILESN[C@H]1CN(CC(=O)N2CCOCC2)C[C@@H]1C1CC1
InChIInChI=1S/C13H23N3O2/c14-12-8-15(7-11(12)10-1-2-10)9-13(17)16-3-5-18-6-4-16/h10-12H,1-9,14H2/t11-,12+/m1/s1
InChIKeyWFJQXEPDMVVGPC-NEPJUHHUSA-N
MW253.35 g/mol
LogP-0.49
Rot. Bonds3

About 2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-1-morpholin-4-ylethanone

2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 72900917) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-1-morpholin-4-ylethanone
PubChem CID72900917
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-1-morpholin-4-ylethanone
SMILESN[C@H]1CN(CC(=O)N2CCOCC2)C[C@@H]1C1CC1
InChIInChI=1S/C13H23N3O2/c14-12-8-15(7-11(12)10-1-2-10)9-13(17)16-3-5-18-6-4-16/h10-12H,1-9,14H2/t11-,12+/m1/s1
InChIKeyWFJQXEPDMVVGPC-NEPJUHHUSA-N
XLogP-0.49
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-1-(azetidin-1-yl)ethanone
CID 113414720
2-(4-aminopiperidin-1-yl)-1-morpholin-4-ylethanone;dihydrochloride
CID 56773516
1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidine-3-carboxylic acid
CID 63032240
2-[1-(2-morpholin-4-yl-2-oxoethyl)azetidin-3-yl]acetic acid
CID 64616071
2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-1-(2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
CID 72919963
1-(2-morpholin-4-yl-2-oxoethyl)piperidine-3-carboxylic acid
CID 43385913
2-[1-(2-morpholin-4-yl-2-oxoethyl)azetidin-3-yl]propanoic acid
CID 116684337
2-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 119834234
2-[4-(methylamino)piperidin-1-yl]-1-morpholin-4-ylethanone;hydrochloride
CID 119923636
1-(2-morpholin-4-yl-2-oxoethyl)piperidine-4-carbonitrile
CID 48940006
2-(cyclopropylmethylamino)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone
CID 119834260
2-[(3aR,4R,6aS)-4-[methyl(pyrazin-2-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-morpholin-4-ylethanone
CID 110138915

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-1-morpholin-4-ylethanone (CID 72900917) is 2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-1-morpholin-4-ylethanone is N[C@H]1CN(CC(=O)N2CCOCC2)C[C@@H]1C1CC1.
What is the InChIKey of 2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is WFJQXEPDMVVGPC-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H23N3O2/c14-12-8-15(7-11(12)10-1-2-10)9-13(17)16-3-5-18-6-4-16/h10-12H,1-9,14H2/t11-,12+/m1/s1.
What are the key properties of 2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-1-morpholin-4-ylethanone?
2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 253.35 g/mol, XLogP of -0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 72900917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).