2-amino-1-[3-[cyclopropyl(methyl)amino]pyrrolidin-1-yl]propan-1-one

C11H21N3O — CID 77144319

IUPAC2-amino-1-[3-[cyclopropyl(methyl)amino]pyrrolidin-1-yl]propan-1-one
SMILESCC(N)C(=O)N1CCC(N(C)C2CC2)C1
InChIInChI=1S/C11H21N3O/c1-8(12)11(15)14-6-5-10(7-14)13(2)9-3-4-9/h8-10H,3-7,12H2,1-2H3
InChIKeyNAEFKELBJLUQPP-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.03
Rot. Bonds3

About 2-amino-1-[3-[cyclopropyl(methyl)amino]pyrrolidin-1-yl]propan-1-one

2-amino-1-[3-[cyclopropyl(methyl)amino]pyrrolidin-1-yl]propan-1-one (PubChem CID 77144319) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-amino-1-[3-[cyclopropyl(methyl)amino]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-amino-1-[3-[cyclopropyl(methyl)amino]pyrrolidin-1-yl]propan-1-one
PubChem CID77144319
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-amino-1-[3-[cyclopropyl(methyl)amino]pyrrolidin-1-yl]propan-1-one
SMILESCC(N)C(=O)N1CCC(N(C)C2CC2)C1
InChIInChI=1S/C11H21N3O/c1-8(12)11(15)14-6-5-10(7-14)13(2)9-3-4-9/h8-10H,3-7,12H2,1-2H3
InChIKeyNAEFKELBJLUQPP-UHFFFAOYSA-N
XLogP0.03
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[3-[cyclopropyl(methyl)amino]pyrrolidin-1-yl]-3-methylbutan-1-one
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CID 66568007
(2R)-2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 86323735
2-amino-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
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(2R)-2-amino-1-(3,5-dimethylazepan-1-yl)propan-1-one
CID 130747616
2-amino-1-[3-(aminomethyl)pyrrolidin-1-yl]propan-1-one
CID 131134494
2-amino-1-[3-[benzyl(cyclopropyl)amino]pyrrolidin-1-yl]propan-1-one
CID 77144157
(2S)-2-amino-1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]propan-1-one
CID 129380985
1-[(2R)-2-aminopropanoyl]piperidine-3,4-dicarboxylic acid
CID 113353831
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-aminopropan-1-one
CID 43620385
(2S)-2-amino-1-[4-[(dimethylamino)methyl]piperidin-1-yl]propan-1-one
CID 61148515
(2R)-2-amino-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one
CID 79170601

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-[cyclopropyl(methyl)amino]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 2-amino-1-[3-[cyclopropyl(methyl)amino]pyrrolidin-1-yl]propan-1-one (CID 77144319) is 2-amino-1-[3-[cyclopropyl(methyl)amino]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 2-amino-1-[3-[cyclopropyl(methyl)amino]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 2-amino-1-[3-[cyclopropyl(methyl)amino]pyrrolidin-1-yl]propan-1-one is CC(N)C(=O)N1CCC(N(C)C2CC2)C1.
What is the InChIKey of 2-amino-1-[3-[cyclopropyl(methyl)amino]pyrrolidin-1-yl]propan-1-one?
The InChIKey is NAEFKELBJLUQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-8(12)11(15)14-6-5-10(7-14)13(2)9-3-4-9/h8-10H,3-7,12H2,1-2H3.
What are the key properties of 2-amino-1-[3-[cyclopropyl(methyl)amino]pyrrolidin-1-yl]propan-1-one?
2-amino-1-[3-[cyclopropyl(methyl)amino]pyrrolidin-1-yl]propan-1-one has a molecular weight of 211.31 g/mol, XLogP of 0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-[cyclopropyl(methyl)amino]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 77144319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).