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

C8H16N2O2 — CID 66564457

IUPAC(2S)-2-amino-1-[(3R)-3-methoxypyrrolidin-1-yl]propan-1-one
SMILESCO[C@@H]1CCN(C(=O)[C@H](C)N)C1
InChIInChI=1S/C8H16N2O2/c1-6(9)8(11)10-4-3-7(5-10)12-2/h6-7H,3-5,9H2,1-2H3/t6-,7+/m0/s1
InChIKeyQOGHHSKRNLOCBJ-NKWVEPMBSA-N
MW172.23 g/mol
LogP-0.42
Rot. Bonds2

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

(2S)-2-amino-1-[(3R)-3-methoxypyrrolidin-1-yl]propan-1-one (PubChem CID 66564457) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is (2S)-2-amino-1-[(3R)-3-methoxypyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[(3R)-3-methoxypyrrolidin-1-yl]propan-1-one
PubChem CID66564457
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name(2S)-2-amino-1-[(3R)-3-methoxypyrrolidin-1-yl]propan-1-one
SMILESCO[C@@H]1CCN(C(=O)[C@H](C)N)C1
InChIInChI=1S/C8H16N2O2/c1-6(9)8(11)10-4-3-7(5-10)12-2/h6-7H,3-5,9H2,1-2H3/t6-,7+/m0/s1
InChIKeyQOGHHSKRNLOCBJ-NKWVEPMBSA-N
XLogP-0.42
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-1-(3-methoxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one
CID 103532865
1-(3-methoxypyrrolidin-1-yl)-3-methyl-2-sulfanylbutan-1-one
CID 107037146
2-bromo-1-(3-methoxypyrrolidin-1-yl)-3-methylbutan-1-one
CID 103531419
(2R)-2-amino-1-[3-(trifluoromethoxy)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 178127033
(2R)-2-amino-1-(3-methoxypyrrolidin-1-yl)-4-methylsulfanylbutan-1-one
CID 103532899
2-amino-1-[(3S)-3-methoxypyrrolidin-1-yl]-2-(oxan-4-yl)ethanone
CID 120793854
(2R)-2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 86323735
[1-[(2S)-2-aminopropanoyl]piperidin-4-yl] acetate
CID 67663006
(2S)-2-amino-1-(4-cyclopentyloxypiperidin-1-yl)propan-1-one
CID 119312938
(2S)-2-amino-1-(4-methoxypiperidin-1-yl)-3-methylbutan-1-one
CID 61155723
(2R)-2-amino-1-(4-methoxypiperidin-1-yl)-3-methylbutan-1-one
CID 79011459
(2S)-2-amino-1-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 129393084

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[(3R)-3-methoxypyrrolidin-1-yl]propan-1-one?
The IUPAC name of (2S)-2-amino-1-[(3R)-3-methoxypyrrolidin-1-yl]propan-1-one (CID 66564457) is (2S)-2-amino-1-[(3R)-3-methoxypyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[(3R)-3-methoxypyrrolidin-1-yl]propan-1-one?
The canonical SMILES for (2S)-2-amino-1-[(3R)-3-methoxypyrrolidin-1-yl]propan-1-one is CO[C@@H]1CCN(C(=O)[C@H](C)N)C1.
What is the InChIKey of (2S)-2-amino-1-[(3R)-3-methoxypyrrolidin-1-yl]propan-1-one?
The InChIKey is QOGHHSKRNLOCBJ-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-6(9)8(11)10-4-3-7(5-10)12-2/h6-7H,3-5,9H2,1-2H3/t6-,7+/m0/s1.
What are the key properties of (2S)-2-amino-1-[(3R)-3-methoxypyrrolidin-1-yl]propan-1-one?
(2S)-2-amino-1-[(3R)-3-methoxypyrrolidin-1-yl]propan-1-one has a molecular weight of 172.23 g/mol, XLogP of -0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[(3R)-3-methoxypyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 66564457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).