2-amino-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide

C13H19N3O — CID 93027730

IUPAC2-amino-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide
SMILESNCC(=O)N[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C13H19N3O/c14-8-13(17)15-12-6-7-16(10-12)9-11-4-2-1-3-5-11/h1-5,12H,6-10,14H2,(H,15,17)/t12-/m1/s1
InChIKeyYPWKQQRQPOSWHR-GFCCVEGCSA-N
MW233.31 g/mol
LogP0.34
Rot. Bonds4

About 2-amino-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide

2-amino-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide (PubChem CID 93027730) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-amino-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-amino-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide
PubChem CID93027730
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-amino-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide
SMILESNCC(=O)N[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C13H19N3O/c14-8-13(17)15-12-6-7-16(10-12)9-11-4-2-1-3-5-11/h1-5,12H,6-10,14H2,(H,15,17)/t12-/m1/s1
InChIKeyYPWKQQRQPOSWHR-GFCCVEGCSA-N
XLogP0.34
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(3S)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]acetamide
CID 54551711
2-(azepan-1-yl)-N-[(3S)-1-benzylpyrrolidin-3-yl]acetamide
CID 131913098
N-[(3R)-1-benzylpyrrolidin-3-yl]-4-phenylbutanamide
CID 51947538
4-amino-N-(1-benzylpyrrolidin-3-yl)benzamide
CID 21330045
(2S)-2-amino-N-(1-benzylpyrrolidin-3-yl)propanamide
CID 66565242
N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(3-fluorophenyl)acetamide
CID 39959483
2-(azetidin-3-yl)-N-(1-benzylpyrrolidin-3-yl)acetamide
CID 64618361
N-(1-benzylpyrrolidin-3-yl)-3-(ethylamino)propanamide
CID 62833579
N-[(3S)-1-benzylpyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 94785030
2-(4-aminophenoxy)-N-(1-benzylpiperidin-3-yl)acetamide
CID 113239292
2-amino-N-(1-benzylpyrrolidin-3-yl)-3-phenylpropanamide;dihydrochloride
CID 119831669
N-(1-benzylpyrrolidin-3-yl)-2-(3-pyrazol-1-ylazetidin-1-yl)acetamide
CID 56781183

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide?
The IUPAC name of 2-amino-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide (CID 93027730) is 2-amino-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-amino-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-amino-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide is NCC(=O)N[C@@H]1CCN(Cc2ccccc2)C1.
What is the InChIKey of 2-amino-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide?
The InChIKey is YPWKQQRQPOSWHR-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H19N3O/c14-8-13(17)15-12-6-7-16(10-12)9-11-4-2-1-3-5-11/h1-5,12H,6-10,14H2,(H,15,17)/t12-/m1/s1.
What are the key properties of 2-amino-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide?
2-amino-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide has a molecular weight of 233.31 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 93027730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).