2-amino-1-(2-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one

C9H18N2O2 — CID 143685516

IUPAC2-amino-1-(2-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one
SMILESCC(C)C(N)C(=O)N1CCCC1O
InChIInChI=1S/C9H18N2O2/c1-6(2)8(10)9(13)11-5-3-4-7(11)12/h6-8,12H,3-5,10H2,1-2H3
InChIKeyCPMJRQBZUFIXLZ-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.09
Rot. Bonds2

About 2-amino-1-(2-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one

2-amino-1-(2-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one (PubChem CID 143685516) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-amino-1-(2-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one.

Molecular Properties

Compound Name2-amino-1-(2-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one
PubChem CID143685516
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-amino-1-(2-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one
SMILESCC(C)C(N)C(=O)N1CCCC1O
InChIInChI=1S/C9H18N2O2/c1-6(2)8(10)9(13)11-5-3-4-7(11)12/h6-8,12H,3-5,10H2,1-2H3
InChIKeyCPMJRQBZUFIXLZ-UHFFFAOYSA-N
XLogP-0.09
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 ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Hydroxylevetiracetam
CID 169502149
(2S)-2-[3-(hydroxymethyl)-2-oxopyrrolidin-1-yl]butanamide
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2-[(4R)-4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]butanamide
CID 44367491
(S)-1-((1S,5R)-2-aza-bicyclo[3.1.0]hexan-2-yl)-2-amino-4-hydroxybutan-1-one
CID 44433943
N-[(3S,4R)-4-(hydroxymethyl)pyrrolidin-3-yl]acetamide
CID 110202602
1-[(3S,4R)-3-(dimethylamino)-4-(hydroxymethyl)pyrrolidin-1-yl]-2-ethylbutan-1-one
CID 124049898
1-[(3S,4R)-3-(dimethylamino)-4-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one
CID 124050082
(2S)-2-amino-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 14186920
2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide
CID 129367745
1-(hydroxymethyl)-N-[(2S)-3-methyl-2-pyrrolidin-1-ylbutyl]cyclopropane-1-carboxamide
CID 129625428
2-(5-Hydroxy-2-oxopyrrolidin-1-yl)butanamide
CID 129850691
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 75386169

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one?
The IUPAC name of 2-amino-1-(2-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one (CID 143685516) is 2-amino-1-(2-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one.
What is the SMILES notation for 2-amino-1-(2-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one?
The canonical SMILES for 2-amino-1-(2-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one is CC(C)C(N)C(=O)N1CCCC1O.
What is the InChIKey of 2-amino-1-(2-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one?
The InChIKey is CPMJRQBZUFIXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-6(2)8(10)9(13)11-5-3-4-7(11)12/h6-8,12H,3-5,10H2,1-2H3.
What are the key properties of 2-amino-1-(2-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one?
2-amino-1-(2-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one has a molecular weight of 186.25 g/mol, XLogP of -0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one is sourced from PubChem (CID 143685516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).