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

C10H20N2O2 — CID 129499703

IUPAC(2R)-2-amino-1-[(3S,4S)-3-(methoxymethyl)-4-methylpyrrolidin-1-yl]propan-1-one
SMILESCOC[C@@H]1CN(C(=O)[C@@H](C)N)C[C@H]1C
InChIInChI=1S/C10H20N2O2/c1-7-4-12(10(13)8(2)11)5-9(7)6-14-3/h7-9H,4-6,11H2,1-3H3/t7-,8-,9+/m1/s1
InChIKeySUABIXOSMYRVOG-HLTSFMKQSA-N
MW200.28 g/mol
LogP0.07
Rot. Bonds3

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

(2R)-2-amino-1-[(3S,4S)-3-(methoxymethyl)-4-methylpyrrolidin-1-yl]propan-1-one (PubChem CID 129499703) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is (2R)-2-amino-1-[(3S,4S)-3-(methoxymethyl)-4-methylpyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-[(3S,4S)-3-(methoxymethyl)-4-methylpyrrolidin-1-yl]propan-1-one
PubChem CID129499703
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name(2R)-2-amino-1-[(3S,4S)-3-(methoxymethyl)-4-methylpyrrolidin-1-yl]propan-1-one
SMILESCOC[C@@H]1CN(C(=O)[C@@H](C)N)C[C@H]1C
InChIInChI=1S/C10H20N2O2/c1-7-4-12(10(13)8(2)11)5-9(7)6-14-3/h7-9H,4-6,11H2,1-3H3/t7-,8-,9+/m1/s1
InChIKeySUABIXOSMYRVOG-HLTSFMKQSA-N
XLogP0.07
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-amino-1-[(3S,4S)-3-(methoxymethyl)-4-methylpyrrolidin-1-yl]propan-1-one with MolForge

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Related Compounds

(2S)-2-chloro-1-[(3S,4S)-3-(methoxymethyl)-4-methylpyrrolidin-1-yl]propan-1-one
CID 129497843
(2R)-2-amino-1-(3,4-dimethylpyrrolidin-1-yl)propan-1-one
CID 79180602
2-amino-1-(3,4-dimethylpyrrolidin-1-yl)propan-1-one
CID 79181117
2-amino-1-(3-ethyl-4-hydroxypyrrolidin-1-yl)propan-1-one
CID 131098043
(E)-4-[(3R,4S)-3-(methoxymethyl)-4-methylpyrrolidin-1-yl]-4-oxobut-2-enoic acid
CID 129494693
azetidin-3-yl-[3-(methoxymethyl)-4-methylpyrrolidin-1-yl]methanone
CID 121202605
(2S)-2-amino-1-[(4R)-4-(methoxymethyl)-3,3-dimethylpyrrolidin-1-yl]propan-1-one
CID 129496542
(2R)-2-amino-1-(3,4-dihydroxypyrrolidin-1-yl)propan-1-one
CID 106669235
2-amino-1-(2-ethyl-6-methylmorpholin-4-yl)propan-1-one;hydrochloride
CID 119304817
[3-(methoxymethyl)-4-methylpyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 155905940
(2S)-2-amino-1-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]propan-1-one
CID 129321535
1-(2-aminopropanoyl)-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid
CID 145304739

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[(3S,4S)-3-(methoxymethyl)-4-methylpyrrolidin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-amino-1-[(3S,4S)-3-(methoxymethyl)-4-methylpyrrolidin-1-yl]propan-1-one (CID 129499703) is (2R)-2-amino-1-[(3S,4S)-3-(methoxymethyl)-4-methylpyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-amino-1-[(3S,4S)-3-(methoxymethyl)-4-methylpyrrolidin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-amino-1-[(3S,4S)-3-(methoxymethyl)-4-methylpyrrolidin-1-yl]propan-1-one is COC[C@@H]1CN(C(=O)[C@@H](C)N)C[C@H]1C.
What is the InChIKey of (2R)-2-amino-1-[(3S,4S)-3-(methoxymethyl)-4-methylpyrrolidin-1-yl]propan-1-one?
The InChIKey is SUABIXOSMYRVOG-HLTSFMKQSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-7-4-12(10(13)8(2)11)5-9(7)6-14-3/h7-9H,4-6,11H2,1-3H3/t7-,8-,9+/m1/s1.
What are the key properties of (2R)-2-amino-1-[(3S,4S)-3-(methoxymethyl)-4-methylpyrrolidin-1-yl]propan-1-one?
(2R)-2-amino-1-[(3S,4S)-3-(methoxymethyl)-4-methylpyrrolidin-1-yl]propan-1-one has a molecular weight of 200.28 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[(3S,4S)-3-(methoxymethyl)-4-methylpyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 129499703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).