1-(3-hydroxypyrrolidin-1-yl)-2-(propylamino)ethanone

C9H18N2O2 — CID 62943798

IUPAC1-(3-hydroxypyrrolidin-1-yl)-2-(propylamino)ethanone
SMILESCCCNCC(=O)N1CCC(O)C1
InChIInChI=1S/C9H18N2O2/c1-2-4-10-6-9(13)11-5-3-8(12)7-11/h8,10,12H,2-7H2,1H3
InChIKeyYXMRGJBHXCJKKX-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.42
Rot. Bonds4

About 1-(3-hydroxypyrrolidin-1-yl)-2-(propylamino)ethanone

1-(3-hydroxypyrrolidin-1-yl)-2-(propylamino)ethanone (PubChem CID 62943798) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-(3-hydroxypyrrolidin-1-yl)-2-(propylamino)ethanone.

Molecular Properties

Compound Name1-(3-hydroxypyrrolidin-1-yl)-2-(propylamino)ethanone
PubChem CID62943798
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1-(3-hydroxypyrrolidin-1-yl)-2-(propylamino)ethanone
SMILESCCCNCC(=O)N1CCC(O)C1
InChIInChI=1S/C9H18N2O2/c1-2-4-10-6-9(13)11-5-3-8(12)7-11/h8,10,12H,2-7H2,1H3
InChIKeyYXMRGJBHXCJKKX-UHFFFAOYSA-N
XLogP-0.42
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(3S)-3-hydroxypiperidin-1-yl]-2-(propylamino)ethanone
CID 107222864
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone
CID 107217441
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
CID 103745543
N-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]acetamide
CID 62917262
N-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 66291157
2-[1-[2-(propylamino)acetyl]piperidin-4-yl]acetic acid
CID 79615592
1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-(propylamino)ethanone;hydrochloride
CID 142209070
2-(propylamino)-1-(3,4,5-trimethylpiperazin-1-yl)ethanone
CID 114536706
2-(ethylamino)-1-(3-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 102957086
1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylpentan-1-one
CID 104982251
1-(2,6-dimethylmorpholin-4-yl)-2-(propylamino)ethanone
CID 60687539
2-(cyclopentylamino)-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 94896155

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypyrrolidin-1-yl)-2-(propylamino)ethanone?
The IUPAC name of 1-(3-hydroxypyrrolidin-1-yl)-2-(propylamino)ethanone (CID 62943798) is 1-(3-hydroxypyrrolidin-1-yl)-2-(propylamino)ethanone.
What is the SMILES notation for 1-(3-hydroxypyrrolidin-1-yl)-2-(propylamino)ethanone?
The canonical SMILES for 1-(3-hydroxypyrrolidin-1-yl)-2-(propylamino)ethanone is CCCNCC(=O)N1CCC(O)C1.
What is the InChIKey of 1-(3-hydroxypyrrolidin-1-yl)-2-(propylamino)ethanone?
The InChIKey is YXMRGJBHXCJKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-2-4-10-6-9(13)11-5-3-8(12)7-11/h8,10,12H,2-7H2,1H3.
What are the key properties of 1-(3-hydroxypyrrolidin-1-yl)-2-(propylamino)ethanone?
1-(3-hydroxypyrrolidin-1-yl)-2-(propylamino)ethanone has a molecular weight of 186.25 g/mol, XLogP of -0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypyrrolidin-1-yl)-2-(propylamino)ethanone is sourced from PubChem (CID 62943798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).