4-amino-1-(3,4-dihydroxypyrrolidin-1-yl)-3-methoxybutan-1-one

C9H18N2O4 — CID 106668761

IUPAC4-amino-1-(3,4-dihydroxypyrrolidin-1-yl)-3-methoxybutan-1-one
SMILESCOC(CN)CC(=O)N1CC(O)C(O)C1
InChIInChI=1S/C9H18N2O4/c1-15-6(3-10)2-9(14)11-4-7(12)8(13)5-11/h6-8,12-13H,2-5,10H2,1H3
InChIKeyNLVIUESNESUXKE-UHFFFAOYSA-N
MW218.25 g/mol
LogP-2.09
Rot. Bonds4

About 4-amino-1-(3,4-dihydroxypyrrolidin-1-yl)-3-methoxybutan-1-one

4-amino-1-(3,4-dihydroxypyrrolidin-1-yl)-3-methoxybutan-1-one (PubChem CID 106668761) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is 4-amino-1-(3,4-dihydroxypyrrolidin-1-yl)-3-methoxybutan-1-one.

Molecular Properties

Compound Name4-amino-1-(3,4-dihydroxypyrrolidin-1-yl)-3-methoxybutan-1-one
PubChem CID106668761
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Name4-amino-1-(3,4-dihydroxypyrrolidin-1-yl)-3-methoxybutan-1-one
SMILESCOC(CN)CC(=O)N1CC(O)C(O)C1
InChIInChI=1S/C9H18N2O4/c1-15-6(3-10)2-9(14)11-4-7(12)8(13)5-11/h6-8,12-13H,2-5,10H2,1H3
InChIKeyNLVIUESNESUXKE-UHFFFAOYSA-N
XLogP-2.09
TPSA96.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-2.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(2,3-Dihydroxypropylamino)propyl]pyrrolidin-2-one
CID 3340970
(2R,3R)-2,3-dihydroxy-N,N'-bis(3-methoxypropyl)butanediamide
CID 15531607
N',N'-dibutyl-2,3-dihydroxybutanediamide
CID 19104633
N',N'-diethyl-2,3-dihydroxybutanediamide
CID 53843983
2,3-dihydroxy-N',N'-dipropylbutanediamide
CID 54509098
1-[2-[Butyl-[2-(methylamino)ethyl]amino]ethyl]-3,4-dihydroxypyrrolidine-2,5-dione
CID 58743116
3,4-Dihydroxy-1-[2-[2-(methylamino)ethyl-propylamino]ethyl]pyrrolidine-2,5-dione
CID 58743132
1-[2-[Ethyl-[2-(methylamino)ethyl]amino]ethyl]-3,4-dihydroxypyrrolidine-2,5-dione
CID 59987810
3,4-Dihydroxy-1-[2-hydroxy-3-(methylamino)propyl]pyrrolidine-2,5-dione
CID 59987812
4-Amino-3-methoxy-1-pyrrolidin-1-ylbutan-1-one
CID 69026349
acetamide;(4S)-4-hydroxypyrrolidin-2-one
CID 69344502
Acetamide;4-hydroxypyrrolidin-2-one
CID 69344607

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3,4-dihydroxypyrrolidin-1-yl)-3-methoxybutan-1-one?
The IUPAC name of 4-amino-1-(3,4-dihydroxypyrrolidin-1-yl)-3-methoxybutan-1-one (CID 106668761) is 4-amino-1-(3,4-dihydroxypyrrolidin-1-yl)-3-methoxybutan-1-one.
What is the SMILES notation for 4-amino-1-(3,4-dihydroxypyrrolidin-1-yl)-3-methoxybutan-1-one?
The canonical SMILES for 4-amino-1-(3,4-dihydroxypyrrolidin-1-yl)-3-methoxybutan-1-one is COC(CN)CC(=O)N1CC(O)C(O)C1.
What is the InChIKey of 4-amino-1-(3,4-dihydroxypyrrolidin-1-yl)-3-methoxybutan-1-one?
The InChIKey is NLVIUESNESUXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4/c1-15-6(3-10)2-9(14)11-4-7(12)8(13)5-11/h6-8,12-13H,2-5,10H2,1H3.
What are the key properties of 4-amino-1-(3,4-dihydroxypyrrolidin-1-yl)-3-methoxybutan-1-one?
4-amino-1-(3,4-dihydroxypyrrolidin-1-yl)-3-methoxybutan-1-one has a molecular weight of 218.25 g/mol, XLogP of -2.09, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3,4-dihydroxypyrrolidin-1-yl)-3-methoxybutan-1-one is sourced from PubChem (CID 106668761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).