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

C13H25N3O — CID 77144341

IUPAC2-amino-1-[3-[cyclopropyl(methyl)amino]pyrrolidin-1-yl]-3-methylbutan-1-one
SMILESCC(C)C(N)C(=O)N1CCC(N(C)C2CC2)C1
InChIInChI=1S/C13H25N3O/c1-9(2)12(14)13(17)16-7-6-11(8-16)15(3)10-4-5-10/h9-12H,4-8,14H2,1-3H3
InChIKeyPPDCLTWNXQQLBR-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.66
Rot. Bonds4

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

2-amino-1-[3-[cyclopropyl(methyl)amino]pyrrolidin-1-yl]-3-methylbutan-1-one (PubChem CID 77144341) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-amino-1-[3-[cyclopropyl(methyl)amino]pyrrolidin-1-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name2-amino-1-[3-[cyclopropyl(methyl)amino]pyrrolidin-1-yl]-3-methylbutan-1-one
PubChem CID77144341
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-amino-1-[3-[cyclopropyl(methyl)amino]pyrrolidin-1-yl]-3-methylbutan-1-one
SMILESCC(C)C(N)C(=O)N1CCC(N(C)C2CC2)C1
InChIInChI=1S/C13H25N3O/c1-9(2)12(14)13(17)16-7-6-11(8-16)15(3)10-4-5-10/h9-12H,4-8,14H2,1-3H3
InChIKeyPPDCLTWNXQQLBR-UHFFFAOYSA-N
XLogP0.66
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[3-[cyclopropyl(methyl)amino]pyrrolidin-1-yl]propan-1-one
CID 77144319
2-amino-3-methyl-1-[(3S)-3-[methyl(propan-2-yl)amino]pyrrolidin-1-yl]butan-1-one
CID 121226203
(2S)-2-amino-3-methyl-1-[3-[methyl(propan-2-yl)amino]pyrrolidin-1-yl]butan-1-one
CID 66568039
N-[1-(2-amino-3-methylbutanoyl)pyrrolidin-3-yl]-N-methylacetamide
CID 77144249
N-[(3S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-3-yl]-N-cyclopropylacetamide
CID 66567713
(2R)-2-amino-1-[4-(dimethylamino)piperidin-1-yl]-3-methylbutan-1-one
CID 79011713
(2S)-2-amino-1-[3-(diethylamino)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 63167021
(2R)-2-amino-3-methyl-1-(3-methylpyrrolidin-1-yl)butan-1-one
CID 79013338
N-[1-(2-amino-3-methylbutanoyl)piperidin-4-yl]-N-cyclopropylacetamide
CID 77144284
N-[[1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-3-yl]methyl]-N-cyclopropylacetamide
CID 66567716
(2R)-2-amino-1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 103942705
(2R)-2-amino-1-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-methylbutan-1-one
CID 79012715

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-[cyclopropyl(methyl)amino]pyrrolidin-1-yl]-3-methylbutan-1-one?
The IUPAC name of 2-amino-1-[3-[cyclopropyl(methyl)amino]pyrrolidin-1-yl]-3-methylbutan-1-one (CID 77144341) is 2-amino-1-[3-[cyclopropyl(methyl)amino]pyrrolidin-1-yl]-3-methylbutan-1-one.
What is the SMILES notation for 2-amino-1-[3-[cyclopropyl(methyl)amino]pyrrolidin-1-yl]-3-methylbutan-1-one?
The canonical SMILES for 2-amino-1-[3-[cyclopropyl(methyl)amino]pyrrolidin-1-yl]-3-methylbutan-1-one is CC(C)C(N)C(=O)N1CCC(N(C)C2CC2)C1.
What is the InChIKey of 2-amino-1-[3-[cyclopropyl(methyl)amino]pyrrolidin-1-yl]-3-methylbutan-1-one?
The InChIKey is PPDCLTWNXQQLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-9(2)12(14)13(17)16-7-6-11(8-16)15(3)10-4-5-10/h9-12H,4-8,14H2,1-3H3.
What are the key properties of 2-amino-1-[3-[cyclopropyl(methyl)amino]pyrrolidin-1-yl]-3-methylbutan-1-one?
2-amino-1-[3-[cyclopropyl(methyl)amino]pyrrolidin-1-yl]-3-methylbutan-1-one has a molecular weight of 239.36 g/mol, XLogP of 0.66, 4 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]-3-methylbutan-1-one is sourced from PubChem (CID 77144341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).