(2S)-2-amino-N-(1-benzylpyrrolidin-3-yl)propanamide

C14H21N3O — CID 66565242

IUPAC(2S)-2-amino-N-(1-benzylpyrrolidin-3-yl)propanamide
SMILESC[C@H](N)C(=O)NC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C14H21N3O/c1-11(15)14(18)16-13-7-8-17(10-13)9-12-5-3-2-4-6-12/h2-6,11,13H,7-10,15H2,1H3,(H,16,18)/t11-,13?/m0/s1
InChIKeyCYYISHHAQAKICG-AMGKYWFPSA-N
MW247.34 g/mol
LogP0.72
Rot. Bonds4

About (2S)-2-amino-N-(1-benzylpyrrolidin-3-yl)propanamide

(2S)-2-amino-N-(1-benzylpyrrolidin-3-yl)propanamide (PubChem CID 66565242) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is (2S)-2-amino-N-(1-benzylpyrrolidin-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1-benzylpyrrolidin-3-yl)propanamide
PubChem CID66565242
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name(2S)-2-amino-N-(1-benzylpyrrolidin-3-yl)propanamide
SMILESC[C@H](N)C(=O)NC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C14H21N3O/c1-11(15)14(18)16-13-7-8-17(10-13)9-12-5-3-2-4-6-12/h2-6,11,13H,7-10,15H2,1H3,(H,16,18)/t11-,13?/m0/s1
InChIKeyCYYISHHAQAKICG-AMGKYWFPSA-N
XLogP0.72
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
(2S)-2-amino-N-(1-benzylpyrrolidin-3-yl)-3,3-dimethylbutanamide;dihydrochloride
CID 119831710
2-amino-N-(1-benzylpyrrolidin-3-yl)-3-phenylpropanamide;dihydrochloride
CID 119831669
2-amino-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide
CID 93027730
(2S)-2-amino-N-(1-benzylpiperidin-3-yl)butanamide
CID 79022762
N-[(3S)-1-benzylpyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 94785030
(2R)-2-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide
CID 119835947
4-amino-N-(1-benzylpiperidin-4-yl)-2-methylbutanamide
CID 80541388
4-amino-N-(1-benzylpyrrolidin-3-yl)benzamide
CID 21330045
N-(1-benzylpyrrolidin-3-yl)-2-(4-methylphenyl)sulfanylpropanamide
CID 47008045
3-amino-N-(1-benzylpiperidin-3-yl)butanamide;dihydrochloride
CID 119856024
N-(1-benzylpyrrolidin-3-yl)-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 42889444

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1-benzylpyrrolidin-3-yl)propanamide?
The IUPAC name of (2S)-2-amino-N-(1-benzylpyrrolidin-3-yl)propanamide (CID 66565242) is (2S)-2-amino-N-(1-benzylpyrrolidin-3-yl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(1-benzylpyrrolidin-3-yl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(1-benzylpyrrolidin-3-yl)propanamide is C[C@H](N)C(=O)NC1CCN(Cc2ccccc2)C1.
What is the InChIKey of (2S)-2-amino-N-(1-benzylpyrrolidin-3-yl)propanamide?
The InChIKey is CYYISHHAQAKICG-AMGKYWFPSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11(15)14(18)16-13-7-8-17(10-13)9-12-5-3-2-4-6-12/h2-6,11,13H,7-10,15H2,1H3,(H,16,18)/t11-,13?/m0/s1.
What are the key properties of (2S)-2-amino-N-(1-benzylpyrrolidin-3-yl)propanamide?
(2S)-2-amino-N-(1-benzylpyrrolidin-3-yl)propanamide has a molecular weight of 247.34 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1-benzylpyrrolidin-3-yl)propanamide is sourced from PubChem (CID 66565242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).