2-amino-1-(3-ethyl-4-hydroxypyrrolidin-1-yl)propan-1-one

C9H18N2O2 — CID 131098043

IUPAC2-amino-1-(3-ethyl-4-hydroxypyrrolidin-1-yl)propan-1-one
SMILESCCC1CN(C(=O)C(C)N)CC1O
InChIInChI=1S/C9H18N2O2/c1-3-7-4-11(5-8(7)12)9(13)6(2)10/h6-8,12H,3-5,10H2,1-2H3
InChIKeyVSRFEFLGNVGTDC-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.44
Rot. Bonds2

About 2-amino-1-(3-ethyl-4-hydroxypyrrolidin-1-yl)propan-1-one

2-amino-1-(3-ethyl-4-hydroxypyrrolidin-1-yl)propan-1-one (PubChem CID 131098043) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-amino-1-(3-ethyl-4-hydroxypyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(3-ethyl-4-hydroxypyrrolidin-1-yl)propan-1-one
PubChem CID131098043
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-amino-1-(3-ethyl-4-hydroxypyrrolidin-1-yl)propan-1-one
SMILESCCC1CN(C(=O)C(C)N)CC1O
InChIInChI=1S/C9H18N2O2/c1-3-7-4-11(5-8(7)12)9(13)6(2)10/h6-8,12H,3-5,10H2,1-2H3
InChIKeyVSRFEFLGNVGTDC-UHFFFAOYSA-N
XLogP-0.44
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-1-(3,4-dihydroxypyrrolidin-1-yl)propan-1-one
CID 106669235
(2S)-2-amino-1-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]propan-1-one
CID 129321535
(2R)-2-amino-1-[(3S,4S)-3-(methoxymethyl)-4-methylpyrrolidin-1-yl]propan-1-one
CID 129499703
(2R)-2-amino-1-(3,4-dimethylpyrrolidin-1-yl)propan-1-one
CID 79180602
2-amino-1-(3,4-dimethylpyrrolidin-1-yl)propan-1-one
CID 79181117
2-amino-1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]butan-1-one
CID 107220584
(2R)-2-amino-1-(3,4-dihydroxypyrrolidin-1-yl)pentan-1-one
CID 107570937
2-amino-1-(2-ethyl-6-methylmorpholin-4-yl)propan-1-one;hydrochloride
CID 119304817
3-amino-1-(3,4-dihydroxypyrrolidin-1-yl)-2-methylpropan-1-one
CID 106668494
2-[1-[(2S)-2-aminopropanoyl]azetidin-3-yl]propanoic acid
CID 104892415
(2R)-2-amino-1-(3-ethyl-4-methylpiperazin-1-yl)propan-1-one
CID 78946636
(2S,3S)-2-amino-1-(3-hydroxyazetidin-1-yl)-3-methylpentan-1-one
CID 103950797

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-ethyl-4-hydroxypyrrolidin-1-yl)propan-1-one?
The IUPAC name of 2-amino-1-(3-ethyl-4-hydroxypyrrolidin-1-yl)propan-1-one (CID 131098043) is 2-amino-1-(3-ethyl-4-hydroxypyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 2-amino-1-(3-ethyl-4-hydroxypyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 2-amino-1-(3-ethyl-4-hydroxypyrrolidin-1-yl)propan-1-one is CCC1CN(C(=O)C(C)N)CC1O.
What is the InChIKey of 2-amino-1-(3-ethyl-4-hydroxypyrrolidin-1-yl)propan-1-one?
The InChIKey is VSRFEFLGNVGTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-3-7-4-11(5-8(7)12)9(13)6(2)10/h6-8,12H,3-5,10H2,1-2H3.
What are the key properties of 2-amino-1-(3-ethyl-4-hydroxypyrrolidin-1-yl)propan-1-one?
2-amino-1-(3-ethyl-4-hydroxypyrrolidin-1-yl)propan-1-one has a molecular weight of 186.25 g/mol, XLogP of -0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-ethyl-4-hydroxypyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 131098043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).