3-amino-1-(3-hydroxy-4-methoxypyrrolidin-1-yl)propan-1-one

C8H16N2O3 — CID 121203853

IUPAC3-amino-1-(3-hydroxy-4-methoxypyrrolidin-1-yl)propan-1-one
SMILESCOC1CN(C(=O)CCN)CC1O
InChIInChI=1S/C8H16N2O3/c1-13-7-5-10(4-6(7)11)8(12)2-3-9/h6-7,11H,2-5,9H2,1H3
InChIKeyAATZVYHQQRKBFN-UHFFFAOYSA-N
MW188.23 g/mol
LogP-1.45
Rot. Bonds3

About 3-amino-1-(3-hydroxy-4-methoxypyrrolidin-1-yl)propan-1-one

3-amino-1-(3-hydroxy-4-methoxypyrrolidin-1-yl)propan-1-one (PubChem CID 121203853) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-amino-1-(3-hydroxy-4-methoxypyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(3-hydroxy-4-methoxypyrrolidin-1-yl)propan-1-one
PubChem CID121203853
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name3-amino-1-(3-hydroxy-4-methoxypyrrolidin-1-yl)propan-1-one
SMILESCOC1CN(C(=O)CCN)CC1O
InChIInChI=1S/C8H16N2O3/c1-13-7-5-10(4-6(7)11)8(12)2-3-9/h6-7,11H,2-5,9H2,1H3
InChIKeyAATZVYHQQRKBFN-UHFFFAOYSA-N
XLogP-1.45
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-1.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3S,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]-4-oxobutanoic acid
CID 129496570
3-amino-1-[(3R,4R)-3-methoxy-4-pyrazol-1-ylpyrrolidin-1-yl]propan-1-one
CID 129495012
3-amino-1-[(3S,4S)-3,4-diethoxypyrrolidin-1-yl]propan-1-one
CID 129496848
3-amino-1-[(3R,4S)-3,4-diethoxypyrrolidin-1-yl]propan-1-one
CID 129496844
3-amino-1-(3-hydroxyazetidin-1-yl)propan-1-one
CID 53409663
ethane;1-[(3R)-3-hydroxy-4-methoxypyrrolidin-1-yl]ethanone
CID 143657767
(2S)-2-amino-1-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]propan-1-one
CID 129321535
4-(2-aminoethyl)-1-(3,4-dimethoxypyrrolidin-1-yl)-5,5-dimethylhexan-1-one
CID 103533203
1-(3,4-dihydroxypyrrolidin-1-yl)-3-methoxypropan-1-one
CID 106671129
[4-(3-aminopropoxy)phenyl]-[(3S,4S)-3-hydroxy-4-methoxypyrrolidin-1-yl]methanone
CID 118787188
3-amino-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 16784840
ethyl 4-(3,4-dihydroxypyrrolidin-1-yl)-4-oxobutanoate
CID 106668262

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-hydroxy-4-methoxypyrrolidin-1-yl)propan-1-one?
The IUPAC name of 3-amino-1-(3-hydroxy-4-methoxypyrrolidin-1-yl)propan-1-one (CID 121203853) is 3-amino-1-(3-hydroxy-4-methoxypyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 3-amino-1-(3-hydroxy-4-methoxypyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 3-amino-1-(3-hydroxy-4-methoxypyrrolidin-1-yl)propan-1-one is COC1CN(C(=O)CCN)CC1O.
What is the InChIKey of 3-amino-1-(3-hydroxy-4-methoxypyrrolidin-1-yl)propan-1-one?
The InChIKey is AATZVYHQQRKBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-13-7-5-10(4-6(7)11)8(12)2-3-9/h6-7,11H,2-5,9H2,1H3.
What are the key properties of 3-amino-1-(3-hydroxy-4-methoxypyrrolidin-1-yl)propan-1-one?
3-amino-1-(3-hydroxy-4-methoxypyrrolidin-1-yl)propan-1-one has a molecular weight of 188.23 g/mol, XLogP of -1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-hydroxy-4-methoxypyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 121203853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).