2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methoxypropan-1-one

C8H16N2O3 — CID 107217182

IUPAC2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methoxypropan-1-one
SMILESCOCC(N)C(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C8H16N2O3/c1-13-5-7(9)8(12)10-3-2-6(11)4-10/h6-7,11H,2-5,9H2,1H3/t6-,7?/m1/s1
InChIKeyPVEOYFPQQBJJNO-ULUSZKPHSA-N
MW188.23 g/mol
LogP-1.45
Rot. Bonds3

About 2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methoxypropan-1-one

2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methoxypropan-1-one (PubChem CID 107217182) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methoxypropan-1-one.

Molecular Properties

Compound Name2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methoxypropan-1-one
PubChem CID107217182
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methoxypropan-1-one
SMILESCOCC(N)C(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C8H16N2O3/c1-13-5-7(9)8(12)10-3-2-6(11)4-10/h6-7,11H,2-5,9H2,1H3/t6-,7?/m1/s1
InChIKeyPVEOYFPQQBJJNO-ULUSZKPHSA-N
XLogP-1.45
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 ≤ 5-1.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methoxybutan-1-one
CID 107217277
2-amino-3-methoxy-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one
CID 81101479
1-(2-amino-3-methoxypropanoyl)piperidine-3-carboxamide
CID 81081318
(2R)-2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 86323735
ethyl 2-amino-3-[(3R)-3-hydroxypyrrolidin-1-yl]-3-oxopropanoate
CID 107217271
2-amino-1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylpentan-1-one
CID 103950641
2-amino-3-methoxy-1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 81082796
2-amino-3-methoxy-1-(4-phenylpiperidin-1-yl)propan-1-one;hydrochloride
CID 120984914
N-[1-(2-amino-3-methoxypropanoyl)piperidin-4-yl]-2-methylpropanamide
CID 81083203
N-[1-(2-amino-3-methoxypropanoyl)piperidin-3-yl]acetamide
CID 81083280
2-amino-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-methoxypropan-1-one
CID 120990934
2-amino-1-(3-ethylsulfanylazepan-1-yl)-3-methoxypropan-1-one;hydrochloride
CID 120989656

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methoxypropan-1-one?
The IUPAC name of 2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methoxypropan-1-one (CID 107217182) is 2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methoxypropan-1-one.
What is the SMILES notation for 2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methoxypropan-1-one?
The canonical SMILES for 2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methoxypropan-1-one is COCC(N)C(=O)N1CC[C@@H](O)C1.
What is the InChIKey of 2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methoxypropan-1-one?
The InChIKey is PVEOYFPQQBJJNO-ULUSZKPHSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-13-5-7(9)8(12)10-3-2-6(11)4-10/h6-7,11H,2-5,9H2,1H3/t6-,7?/m1/s1.
What are the key properties of 2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methoxypropan-1-one?
2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methoxypropan-1-one has a molecular weight of 188.23 g/mol, XLogP of -1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methoxypropan-1-one is sourced from PubChem (CID 107217182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).