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

C11H22N2O2 — CID 129496542

IUPAC(2S)-2-amino-1-[(4R)-4-(methoxymethyl)-3,3-dimethylpyrrolidin-1-yl]propan-1-one
SMILESCOC[C@H]1CN(C(=O)[C@H](C)N)CC1(C)C
InChIInChI=1S/C11H22N2O2/c1-8(12)10(14)13-5-9(6-15-4)11(2,3)7-13/h8-9H,5-7,12H2,1-4H3/t8-,9+/m0/s1
InChIKeyDSXPFAGRLAWYLK-DTWKUNHWSA-N
MW214.31 g/mol
LogP0.46
Rot. Bonds3

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

(2S)-2-amino-1-[(4R)-4-(methoxymethyl)-3,3-dimethylpyrrolidin-1-yl]propan-1-one (PubChem CID 129496542) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (2S)-2-amino-1-[(4R)-4-(methoxymethyl)-3,3-dimethylpyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[(4R)-4-(methoxymethyl)-3,3-dimethylpyrrolidin-1-yl]propan-1-one
PubChem CID129496542
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name(2S)-2-amino-1-[(4R)-4-(methoxymethyl)-3,3-dimethylpyrrolidin-1-yl]propan-1-one
SMILESCOC[C@H]1CN(C(=O)[C@H](C)N)CC1(C)C
InChIInChI=1S/C11H22N2O2/c1-8(12)10(14)13-5-9(6-15-4)11(2,3)7-13/h8-9H,5-7,12H2,1-4H3/t8-,9+/m0/s1
InChIKeyDSXPFAGRLAWYLK-DTWKUNHWSA-N
XLogP0.46
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(methoxymethyl)-3,3-dimethylpyrrolidin-1-yl]propanoic acid
CID 121202742
(2R)-2-amino-1-[(3S,4S)-3-(methoxymethyl)-4-methylpyrrolidin-1-yl]propan-1-one
CID 129499703
1-(4-amino-3,3-dimethylpyrrolidin-1-yl)-2-methoxyethanone
CID 131141980
CID 175390932
CID 175390932
1-(4-amino-3,3-dimethylpyrrolidin-1-yl)-3-methoxypropan-1-one
CID 165448568
bis((2S)-2-amino-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)propan-1-one);dihydrochloride
CID 158386943
2-amino-1-(3,4-dimethylpyrrolidin-1-yl)propan-1-one
CID 79181117
(2R)-2-amino-1-(3,4-dihydroxypyrrolidin-1-yl)propan-1-one
CID 106669235
(2R)-2-amino-1-(3,4-dimethylpyrrolidin-1-yl)propan-1-one
CID 79180602
2-amino-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one
CID 102743719
(2S)-2-amino-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one
CID 102743605
2-amino-1-(3-ethyl-4-hydroxypyrrolidin-1-yl)propan-1-one
CID 131098043

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[(4R)-4-(methoxymethyl)-3,3-dimethylpyrrolidin-1-yl]propan-1-one?
The IUPAC name of (2S)-2-amino-1-[(4R)-4-(methoxymethyl)-3,3-dimethylpyrrolidin-1-yl]propan-1-one (CID 129496542) is (2S)-2-amino-1-[(4R)-4-(methoxymethyl)-3,3-dimethylpyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[(4R)-4-(methoxymethyl)-3,3-dimethylpyrrolidin-1-yl]propan-1-one?
The canonical SMILES for (2S)-2-amino-1-[(4R)-4-(methoxymethyl)-3,3-dimethylpyrrolidin-1-yl]propan-1-one is COC[C@H]1CN(C(=O)[C@H](C)N)CC1(C)C.
What is the InChIKey of (2S)-2-amino-1-[(4R)-4-(methoxymethyl)-3,3-dimethylpyrrolidin-1-yl]propan-1-one?
The InChIKey is DSXPFAGRLAWYLK-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8(12)10(14)13-5-9(6-15-4)11(2,3)7-13/h8-9H,5-7,12H2,1-4H3/t8-,9+/m0/s1.
What are the key properties of (2S)-2-amino-1-[(4R)-4-(methoxymethyl)-3,3-dimethylpyrrolidin-1-yl]propan-1-one?
(2S)-2-amino-1-[(4R)-4-(methoxymethyl)-3,3-dimethylpyrrolidin-1-yl]propan-1-one has a molecular weight of 214.31 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[(4R)-4-(methoxymethyl)-3,3-dimethylpyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 129496542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).