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

C8H16N2O2 — CID 89395905

IUPAC(2R)-2-amino-1-(3-methoxypyrrolidin-1-yl)propan-1-one
SMILESCOC1CCN(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?/m1/s1
InChIKeyQOGHHSKRNLOCBJ-ULUSZKPHSA-N
MW172.23 g/mol
LogP-0.42
Rot. Bonds2

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

(2R)-2-amino-1-(3-methoxypyrrolidin-1-yl)propan-1-one (PubChem CID 89395905) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is (2R)-2-amino-1-(3-methoxypyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-(3-methoxypyrrolidin-1-yl)propan-1-one
PubChem CID89395905
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name(2R)-2-amino-1-(3-methoxypyrrolidin-1-yl)propan-1-one
SMILESCOC1CCN(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?/m1/s1
InChIKeyQOGHHSKRNLOCBJ-ULUSZKPHSA-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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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(3-methoxypyrrolidin-1-yl)propan-1-one?
The IUPAC name of (2R)-2-amino-1-(3-methoxypyrrolidin-1-yl)propan-1-one (CID 89395905) is (2R)-2-amino-1-(3-methoxypyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for (2R)-2-amino-1-(3-methoxypyrrolidin-1-yl)propan-1-one?
The canonical SMILES for (2R)-2-amino-1-(3-methoxypyrrolidin-1-yl)propan-1-one is COC1CCN(C(=O)[C@@H](C)N)C1.
What is the InChIKey of (2R)-2-amino-1-(3-methoxypyrrolidin-1-yl)propan-1-one?
The InChIKey is QOGHHSKRNLOCBJ-ULUSZKPHSA-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?/m1/s1.
What are the key properties of (2R)-2-amino-1-(3-methoxypyrrolidin-1-yl)propan-1-one?
(2R)-2-amino-1-(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 (2R)-2-amino-1-(3-methoxypyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 89395905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).