1-[3-(aminomethyl)-3-hydroxypyrrolidin-1-yl]-2-methoxyethanone

C8H16N2O3 — CID 165462985

IUPAC1-[3-(aminomethyl)-3-hydroxypyrrolidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC(O)(CN)C1
InChIInChI=1S/C8H16N2O3/c1-13-4-7(11)10-3-2-8(12,5-9)6-10/h12H,2-6,9H2,1H3
InChIKeyUKCOVVWQRWTXFC-UHFFFAOYSA-N
MW188.23 g/mol
LogP-1.45
Rot. Bonds3

About 1-[3-(aminomethyl)-3-hydroxypyrrolidin-1-yl]-2-methoxyethanone

1-[3-(aminomethyl)-3-hydroxypyrrolidin-1-yl]-2-methoxyethanone (PubChem CID 165462985) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 1-[3-(aminomethyl)-3-hydroxypyrrolidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[3-(aminomethyl)-3-hydroxypyrrolidin-1-yl]-2-methoxyethanone
PubChem CID165462985
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name1-[3-(aminomethyl)-3-hydroxypyrrolidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC(O)(CN)C1
InChIInChI=1S/C8H16N2O3/c1-13-4-7(11)10-3-2-8(12,5-9)6-10/h12H,2-6,9H2,1H3
InChIKeyUKCOVVWQRWTXFC-UHFFFAOYSA-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

6-(2-methoxyacetyl)-6-azaspiro[3.4]octan-2-one
CID 139295195
1-(2-methoxyacetyl)-4-methylpiperidine-4-carboxylic acid
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2-methoxy-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone
CID 107395939
1-(2-methoxyacetyl)-4-methylpiperidine-4-carbothioamide
CID 107160961
1-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-3-methoxypropan-1-one
CID 125012347
2-(2-aminoethoxy)-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
CID 103355882
1-[3-ethyl-3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-2-methoxyethanone
CID 110876657
3-amino-1-[2-(2-methoxyethoxy)acetyl]pyrrolidine-3-carboxylic acid
CID 114032004
1-[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-2-methoxyethanone
CID 81172336
1-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-2-methoxyethanone
CID 54872234
2-methoxy-1-(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)ethanone
CID 127763978
1-[(3S)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-3-methoxypropan-1-one
CID 124990450

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)-3-hydroxypyrrolidin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[3-(aminomethyl)-3-hydroxypyrrolidin-1-yl]-2-methoxyethanone (CID 165462985) is 1-[3-(aminomethyl)-3-hydroxypyrrolidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[3-(aminomethyl)-3-hydroxypyrrolidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[3-(aminomethyl)-3-hydroxypyrrolidin-1-yl]-2-methoxyethanone is COCC(=O)N1CCC(O)(CN)C1.
What is the InChIKey of 1-[3-(aminomethyl)-3-hydroxypyrrolidin-1-yl]-2-methoxyethanone?
The InChIKey is UKCOVVWQRWTXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-13-4-7(11)10-3-2-8(12,5-9)6-10/h12H,2-6,9H2,1H3.
What are the key properties of 1-[3-(aminomethyl)-3-hydroxypyrrolidin-1-yl]-2-methoxyethanone?
1-[3-(aminomethyl)-3-hydroxypyrrolidin-1-yl]-2-methoxyethanone 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 1-[3-(aminomethyl)-3-hydroxypyrrolidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 165462985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).