3-amino-1-(2-hydroxy-4-methoxypyrrolidin-1-yl)propan-1-one

C8H16N2O3 — CID 163762605

IUPAC3-amino-1-(2-hydroxy-4-methoxypyrrolidin-1-yl)propan-1-one
SMILESCOC1CC(O)N(C(=O)CCN)C1
InChIInChI=1S/C8H16N2O3/c1-13-6-4-8(12)10(5-6)7(11)2-3-9/h6,8,12H,2-5,9H2,1H3
InChIKeyLZMKOAZNELEKPR-UHFFFAOYSA-N
MW188.23 g/mol
LogP-1.10
Rot. Bonds3

About 3-amino-1-(2-hydroxy-4-methoxypyrrolidin-1-yl)propan-1-one

3-amino-1-(2-hydroxy-4-methoxypyrrolidin-1-yl)propan-1-one (PubChem CID 163762605) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-amino-1-(2-hydroxy-4-methoxypyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(2-hydroxy-4-methoxypyrrolidin-1-yl)propan-1-one
PubChem CID163762605
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name3-amino-1-(2-hydroxy-4-methoxypyrrolidin-1-yl)propan-1-one
SMILESCOC1CC(O)N(C(=O)CCN)C1
InChIInChI=1S/C8H16N2O3/c1-13-6-4-8(12)10(5-6)7(11)2-3-9/h6,8,12H,2-5,9H2,1H3
InChIKeyLZMKOAZNELEKPR-UHFFFAOYSA-N
XLogP-1.10
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-hydroxy-4-methoxypyrrolidin-1-yl)propan-1-one?
The IUPAC name of 3-amino-1-(2-hydroxy-4-methoxypyrrolidin-1-yl)propan-1-one (CID 163762605) is 3-amino-1-(2-hydroxy-4-methoxypyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 3-amino-1-(2-hydroxy-4-methoxypyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 3-amino-1-(2-hydroxy-4-methoxypyrrolidin-1-yl)propan-1-one is COC1CC(O)N(C(=O)CCN)C1.
What is the InChIKey of 3-amino-1-(2-hydroxy-4-methoxypyrrolidin-1-yl)propan-1-one?
The InChIKey is LZMKOAZNELEKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-13-6-4-8(12)10(5-6)7(11)2-3-9/h6,8,12H,2-5,9H2,1H3.
What are the key properties of 3-amino-1-(2-hydroxy-4-methoxypyrrolidin-1-yl)propan-1-one?
3-amino-1-(2-hydroxy-4-methoxypyrrolidin-1-yl)propan-1-one has a molecular weight of 188.23 g/mol, XLogP of -1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-hydroxy-4-methoxypyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 163762605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).