2-[(3R,4S)-3-amino-4-propan-2-ylpyrrolidin-1-yl]-N-cyclopropylacetamide

C12H23N3O — CID 72926431

IUPAC2-[(3R,4S)-3-amino-4-propan-2-ylpyrrolidin-1-yl]-N-cyclopropylacetamide
SMILESCC(C)[C@H]1CN(CC(=O)NC2CC2)C[C@@H]1N
InChIInChI=1S/C12H23N3O/c1-8(2)10-5-15(6-11(10)13)7-12(16)14-9-3-4-9/h8-11H,3-7,13H2,1-2H3,(H,14,16)/t10-,11+/m1/s1
InChIKeySRPRNESFXWLJKU-MNOVXSKESA-N
MW225.34 g/mol
LogP0.18
Rot. Bonds4

About 2-[(3R,4S)-3-amino-4-propan-2-ylpyrrolidin-1-yl]-N-cyclopropylacetamide

2-[(3R,4S)-3-amino-4-propan-2-ylpyrrolidin-1-yl]-N-cyclopropylacetamide (PubChem CID 72926431) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-[(3R,4S)-3-amino-4-propan-2-ylpyrrolidin-1-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(3R,4S)-3-amino-4-propan-2-ylpyrrolidin-1-yl]-N-cyclopropylacetamide
PubChem CID72926431
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-[(3R,4S)-3-amino-4-propan-2-ylpyrrolidin-1-yl]-N-cyclopropylacetamide
SMILESCC(C)[C@H]1CN(CC(=O)NC2CC2)C[C@@H]1N
InChIInChI=1S/C12H23N3O/c1-8(2)10-5-15(6-11(10)13)7-12(16)14-9-3-4-9/h8-11H,3-7,13H2,1-2H3,(H,14,16)/t10-,11+/m1/s1
InChIKeySRPRNESFXWLJKU-MNOVXSKESA-N
XLogP0.18
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]acetamide
CID 79410043
2-(3-amino-4-methylpyrrolidin-1-yl)-N-(oxan-4-yl)acetamide
CID 103576576
N-cycloheptyl-2-[(3R,4S)-3-(methanesulfonamido)-4-propan-2-ylpyrrolidin-1-yl]acetamide
CID 72888251
N-cyclopropyl-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
CID 27444185
2-(3-aminopyrrolidin-1-yl)-N-cyclopropylacetamide
CID 62067111
2-(3-aminoazetidin-1-yl)-N-cycloheptylacetamide
CID 63760720
2-(3-aminoazetidin-1-yl)-N-(oxan-4-yl)acetamide
CID 63760722
N-cyclopentyl-2-(3-hydroxyazetidin-1-yl)acetamide
CID 63090926
1-[2-(cyclopropylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63030850
N-cyclopropyl-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]acetamide
CID 63854794
2-[2-(aminomethyl)-6-methylmorpholin-4-yl]-N-cyclopropylacetamide
CID 102938931
2-[4-(3-amino-2-methylbutanoyl)piperazin-1-yl]-N-(4-methylcyclohexyl)acetamide;dihydrochloride
CID 120503708

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-3-amino-4-propan-2-ylpyrrolidin-1-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[(3R,4S)-3-amino-4-propan-2-ylpyrrolidin-1-yl]-N-cyclopropylacetamide (CID 72926431) is 2-[(3R,4S)-3-amino-4-propan-2-ylpyrrolidin-1-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(3R,4S)-3-amino-4-propan-2-ylpyrrolidin-1-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(3R,4S)-3-amino-4-propan-2-ylpyrrolidin-1-yl]-N-cyclopropylacetamide is CC(C)[C@H]1CN(CC(=O)NC2CC2)C[C@@H]1N.
What is the InChIKey of 2-[(3R,4S)-3-amino-4-propan-2-ylpyrrolidin-1-yl]-N-cyclopropylacetamide?
The InChIKey is SRPRNESFXWLJKU-MNOVXSKESA-N. The full InChI is InChI=1S/C12H23N3O/c1-8(2)10-5-15(6-11(10)13)7-12(16)14-9-3-4-9/h8-11H,3-7,13H2,1-2H3,(H,14,16)/t10-,11+/m1/s1.
What are the key properties of 2-[(3R,4S)-3-amino-4-propan-2-ylpyrrolidin-1-yl]-N-cyclopropylacetamide?
2-[(3R,4S)-3-amino-4-propan-2-ylpyrrolidin-1-yl]-N-cyclopropylacetamide has a molecular weight of 225.34 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-3-amino-4-propan-2-ylpyrrolidin-1-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 72926431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).