(2S)-2-amino-N-(1-benzylpyrrolidin-3-yl)-3,3-dimethylbutanamide;dihydrochloride

C17H29Cl2N3O — CID 119831710

IUPAC(2S)-2-amino-N-(1-benzylpyrrolidin-3-yl)-3,3-dimethylbutanamide;dihydrochloride
SMILESCC(C)(C)[C@H](N)C(=O)NC1CCN(Cc2ccccc2)C1.Cl.Cl
InChIInChI=1S/C17H27N3O.2ClH/c1-17(2,3)15(18)16(21)19-14-9-10-20(12-14)11-13-7-5-4-6-8-13;;/h4-8,14-15H,9-12,18H2,1-3H3,(H,19,21);2*1H/t14?,15-;;/m1../s1
InChIKeySLUJEMRFVRINFY-GDUJOYNKSA-N
MW362.35 g/mol
LogP2.59
Rot. Bonds4

About (2S)-2-amino-N-(1-benzylpyrrolidin-3-yl)-3,3-dimethylbutanamide;dihydrochloride

(2S)-2-amino-N-(1-benzylpyrrolidin-3-yl)-3,3-dimethylbutanamide;dihydrochloride (PubChem CID 119831710) has the molecular formula C17H29Cl2N3O and a molecular weight of 362.35 g/mol. Its IUPAC name is (2S)-2-amino-N-(1-benzylpyrrolidin-3-yl)-3,3-dimethylbutanamide;dihydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(1-benzylpyrrolidin-3-yl)-3,3-dimethylbutanamide;dihydrochloride
PubChem CID119831710
Molecular FormulaC17H29Cl2N3O
Molecular Weight362.35 g/mol
Exact Mass361.17
IUPAC Name(2S)-2-amino-N-(1-benzylpyrrolidin-3-yl)-3,3-dimethylbutanamide;dihydrochloride
SMILESCC(C)(C)[C@H](N)C(=O)NC1CCN(Cc2ccccc2)C1.Cl.Cl
InChIInChI=1S/C17H27N3O.2ClH/c1-17(2,3)15(18)16(21)19-14-9-10-20(12-14)11-13-7-5-4-6-8-13;;/h4-8,14-15H,9-12,18H2,1-3H3,(H,19,21);2*1H/t14?,15-;;/m1../s1
InChIKeySLUJEMRFVRINFY-GDUJOYNKSA-N
XLogP2.59
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-amino-N-(1-benzylpyrrolidin-3-yl)-3-phenylpropanamide;dihydrochloride
CID 119831669
N-[(3S)-1-benzylpyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 94785030
(2S)-2-amino-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3,3-dimethylbutanamide;dihydrochloride
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tert-butyl N-[(3R)-1-benzylpyrrolidin-3-yl]carbamate
CID 10286119
2-amino-N-(1-benzylpyrrolidin-3-yl)-2-methylpentanamide
CID 60847713
(2S)-N-[(3aR,4S,6aS)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2-amino-3,3-dimethylbutanamide
CID 66590025
2-amino-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide
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(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
(2S)-2-amino-N-(1-benzylpiperidin-3-yl)butanamide
CID 79022762
(2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]-3,3-dimethylbutanamide;dihydrochloride
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4-amino-N-(1-benzylpyrrolidin-3-yl)benzamide
CID 21330045

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1-benzylpyrrolidin-3-yl)-3,3-dimethylbutanamide;dihydrochloride?
The IUPAC name of (2S)-2-amino-N-(1-benzylpyrrolidin-3-yl)-3,3-dimethylbutanamide;dihydrochloride (CID 119831710) is (2S)-2-amino-N-(1-benzylpyrrolidin-3-yl)-3,3-dimethylbutanamide;dihydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(1-benzylpyrrolidin-3-yl)-3,3-dimethylbutanamide;dihydrochloride?
The canonical SMILES for (2S)-2-amino-N-(1-benzylpyrrolidin-3-yl)-3,3-dimethylbutanamide;dihydrochloride is CC(C)(C)[C@H](N)C(=O)NC1CCN(Cc2ccccc2)C1.Cl.Cl.
What is the InChIKey of (2S)-2-amino-N-(1-benzylpyrrolidin-3-yl)-3,3-dimethylbutanamide;dihydrochloride?
The InChIKey is SLUJEMRFVRINFY-GDUJOYNKSA-N. The full InChI is InChI=1S/C17H27N3O.2ClH/c1-17(2,3)15(18)16(21)19-14-9-10-20(12-14)11-13-7-5-4-6-8-13;;/h4-8,14-15H,9-12,18H2,1-3H3,(H,19,21);2*1H/t14?,15-;;/m1../s1.
What are the key properties of (2S)-2-amino-N-(1-benzylpyrrolidin-3-yl)-3,3-dimethylbutanamide;dihydrochloride?
(2S)-2-amino-N-(1-benzylpyrrolidin-3-yl)-3,3-dimethylbutanamide;dihydrochloride has a molecular weight of 362.35 g/mol, XLogP of 2.59, 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)-3,3-dimethylbutanamide;dihydrochloride is sourced from PubChem (CID 119831710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).