(3S)-3-amino-1-[(2S)-3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl]pyrrolidin-2-one

C12H21N3O4 — CID 58677280

IUPAC(3S)-3-amino-1-[(2S)-3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl]pyrrolidin-2-one
SMILESCOC[C@@H](C(=O)N1CCOCC1)N1CC[C@H](N)C1=O
InChIInChI=1S/C12H21N3O4/c1-18-8-10(15-3-2-9(13)11(15)16)12(17)14-4-6-19-7-5-14/h9-10H,2-8,13H2,1H3/t9-,10-/m0/s1
InChIKeyBAYLBTMQRHWDOP-UWVGGRQHSA-N
MW271.32 g/mol
LogP-1.58
Rot. Bonds4

About (3S)-3-amino-1-[(2S)-3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl]pyrrolidin-2-one

(3S)-3-amino-1-[(2S)-3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl]pyrrolidin-2-one (PubChem CID 58677280) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is (3S)-3-amino-1-[(2S)-3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-amino-1-[(2S)-3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl]pyrrolidin-2-one
PubChem CID58677280
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name(3S)-3-amino-1-[(2S)-3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl]pyrrolidin-2-one
SMILESCOC[C@@H](C(=O)N1CCOCC1)N1CC[C@H](N)C1=O
InChIInChI=1S/C12H21N3O4/c1-18-8-10(15-3-2-9(13)11(15)16)12(17)14-4-6-19-7-5-14/h9-10H,2-8,13H2,1H3/t9-,10-/m0/s1
InChIKeyBAYLBTMQRHWDOP-UWVGGRQHSA-N
XLogP-1.58
TPSA85.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 5-1.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-1-[(2S)-3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl]pyrrolidin-2-one?
The IUPAC name of (3S)-3-amino-1-[(2S)-3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl]pyrrolidin-2-one (CID 58677280) is (3S)-3-amino-1-[(2S)-3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl]pyrrolidin-2-one.
What is the SMILES notation for (3S)-3-amino-1-[(2S)-3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl]pyrrolidin-2-one?
The canonical SMILES for (3S)-3-amino-1-[(2S)-3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl]pyrrolidin-2-one is COC[C@@H](C(=O)N1CCOCC1)N1CC[C@H](N)C1=O.
What is the InChIKey of (3S)-3-amino-1-[(2S)-3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl]pyrrolidin-2-one?
The InChIKey is BAYLBTMQRHWDOP-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-18-8-10(15-3-2-9(13)11(15)16)12(17)14-4-6-19-7-5-14/h9-10H,2-8,13H2,1H3/t9-,10-/m0/s1.
What are the key properties of (3S)-3-amino-1-[(2S)-3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl]pyrrolidin-2-one?
(3S)-3-amino-1-[(2S)-3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl]pyrrolidin-2-one has a molecular weight of 271.32 g/mol, XLogP of -1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-1-[(2S)-3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 58677280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).