(2S)-2-amino-1-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]propan-1-one

C8H16N2O3 — CID 129321535

IUPAC(2S)-2-amino-1-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]propan-1-one
SMILESCO[C@@H]1CN(C(=O)[C@H](C)N)C[C@H]1O
InChIInChI=1S/C8H16N2O3/c1-5(9)8(12)10-3-6(11)7(4-10)13-2/h5-7,11H,3-4,9H2,1-2H3/t5-,6+,7+/m0/s1
InChIKeyOIEWACGHYHRTAY-RRKCRQDMSA-N
MW188.23 g/mol
LogP-1.45
Rot. Bonds2

About (2S)-2-amino-1-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]propan-1-one

(2S)-2-amino-1-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]propan-1-one (PubChem CID 129321535) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is (2S)-2-amino-1-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]propan-1-one
PubChem CID129321535
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name(2S)-2-amino-1-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]propan-1-one
SMILESCO[C@@H]1CN(C(=O)[C@H](C)N)C[C@H]1O
InChIInChI=1S/C8H16N2O3/c1-5(9)8(12)10-3-6(11)7(4-10)13-2/h5-7,11H,3-4,9H2,1-2H3/t5-,6+,7+/m0/s1
InChIKeyOIEWACGHYHRTAY-RRKCRQDMSA-N
XLogP-1.45
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
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

(2R)-2-amino-1-(3,4-dihydroxypyrrolidin-1-yl)propan-1-one
CID 106669235
2-amino-1-(3-ethyl-4-hydroxypyrrolidin-1-yl)propan-1-one
CID 131098043
ethane;1-[(3R)-3-hydroxy-4-methoxypyrrolidin-1-yl]ethanone
CID 143657767
2-amino-1-(3,4-dimethylpyrrolidin-1-yl)propan-1-one
CID 79181117
(2R)-2-amino-1-(3,4-dimethylpyrrolidin-1-yl)propan-1-one
CID 79180602
3-amino-1-(3-hydroxy-4-methoxypyrrolidin-1-yl)propan-1-one
CID 121203853
(2S)-2-amino-1-[(3R)-3-methoxypyrrolidin-1-yl]propan-1-one
CID 66564457
2-amino-1-(3,4-dimethoxypyrrolidin-1-yl)-4-methoxybutan-1-one
CID 103533201
4-[(3S,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]-4-oxobutanoic acid
CID 129496570
2-[1-[(2S)-2-aminopropanoyl]azetidin-3-yl]propanoic acid
CID 104892415
3-chloro-1-(3,4-dimethoxypyrrolidin-1-yl)-2-methylpropan-1-one
CID 103531434
(2R)-2-amino-1-[(3S,4S)-3-(methoxymethyl)-4-methylpyrrolidin-1-yl]propan-1-one
CID 129499703

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]propan-1-one?
The IUPAC name of (2S)-2-amino-1-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]propan-1-one (CID 129321535) is (2S)-2-amino-1-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]propan-1-one?
The canonical SMILES for (2S)-2-amino-1-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]propan-1-one is CO[C@@H]1CN(C(=O)[C@H](C)N)C[C@H]1O.
What is the InChIKey of (2S)-2-amino-1-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]propan-1-one?
The InChIKey is OIEWACGHYHRTAY-RRKCRQDMSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-5(9)8(12)10-3-6(11)7(4-10)13-2/h5-7,11H,3-4,9H2,1-2H3/t5-,6+,7+/m0/s1.
What are the key properties of (2S)-2-amino-1-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]propan-1-one?
(2S)-2-amino-1-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]propan-1-one has a molecular weight of 188.23 g/mol, XLogP of -1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 129321535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).