(2S)-2-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide;dihydrochloride

C15H25Cl2N3O — CID 119831434

IUPAC(2S)-2-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide;dihydrochloride
SMILESC[C@H](N)C(=O)NCC(c1ccccc1)N1CCCC1.Cl.Cl
InChIInChI=1S/C15H23N3O.2ClH/c1-12(16)15(19)17-11-14(18-9-5-6-10-18)13-7-3-2-4-8-13;;/h2-4,7-8,12,14H,5-6,9-11,16H2,1H3,(H,17,19);2*1H/t12-,14?;;/m0../s1
InChIKeyFBJVGLLWIPWFPD-MRWARIEHSA-N
MW334.29 g/mol
LogP2.13
Rot. Bonds5

About (2S)-2-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide;dihydrochloride

(2S)-2-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide;dihydrochloride (PubChem CID 119831434) has the molecular formula C15H25Cl2N3O and a molecular weight of 334.29 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide;dihydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide;dihydrochloride
PubChem CID119831434
Molecular FormulaC15H25Cl2N3O
Molecular Weight334.29 g/mol
Exact Mass333.14
IUPAC Name(2S)-2-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide;dihydrochloride
SMILESC[C@H](N)C(=O)NCC(c1ccccc1)N1CCCC1.Cl.Cl
InChIInChI=1S/C15H23N3O.2ClH/c1-12(16)15(19)17-11-14(18-9-5-6-10-18)13-7-3-2-4-8-13;;/h2-4,7-8,12,14H,5-6,9-11,16H2,1H3,(H,17,19);2*1H/t12-,14?;;/m0../s1
InChIKeyFBJVGLLWIPWFPD-MRWARIEHSA-N
XLogP2.13
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.29
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 119831373
2-amino-3-methoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
CID 81071617
(2R)-2-amino-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 119849472
2,2-difluoro-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 103514779
3-amino-2-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
CID 119831385
2-(dimethylamino)-2-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 47839657
3-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-methyl-3-phenylpropanamide;dihydrochloride
CID 119829693
(2R)-2-amino-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]propanamide;dihydrochloride
CID 119873740
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-(propan-2-ylamino)acetamide
CID 61249970
3-(4-fluorophenyl)-2-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
CID 110302461
N-(2-amino-2-phenylethyl)-2-(azepan-1-yl)propanamide
CID 119527892
3-methyl-2-[(2-phenylacetyl)amino]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butanamide
CID 55336268

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide;dihydrochloride?
The IUPAC name of (2S)-2-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide;dihydrochloride (CID 119831434) is (2S)-2-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide;dihydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide;dihydrochloride?
The canonical SMILES for (2S)-2-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide;dihydrochloride is C[C@H](N)C(=O)NCC(c1ccccc1)N1CCCC1.Cl.Cl.
What is the InChIKey of (2S)-2-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide;dihydrochloride?
The InChIKey is FBJVGLLWIPWFPD-MRWARIEHSA-N. The full InChI is InChI=1S/C15H23N3O.2ClH/c1-12(16)15(19)17-11-14(18-9-5-6-10-18)13-7-3-2-4-8-13;;/h2-4,7-8,12,14H,5-6,9-11,16H2,1H3,(H,17,19);2*1H/t12-,14?;;/m0../s1.
What are the key properties of (2S)-2-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide;dihydrochloride?
(2S)-2-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide;dihydrochloride has a molecular weight of 334.29 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide;dihydrochloride is sourced from PubChem (CID 119831434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).