3-amino-N-[(3R,5R)-1-benzyl-5-methylpyrrolidin-3-yl]propanamide

C15H23N3O — CID 124652969

IUPAC3-amino-N-[(3R,5R)-1-benzyl-5-methylpyrrolidin-3-yl]propanamide
SMILESC[C@@H]1C[C@@H](NC(=O)CCN)CN1Cc1ccccc1
InChIInChI=1S/C15H23N3O/c1-12-9-14(17-15(19)7-8-16)11-18(12)10-13-5-3-2-4-6-13/h2-6,12,14H,7-11,16H2,1H3,(H,17,19)/t12-,14-/m1/s1
InChIKeyOYLLMQUUEAKRES-TZMCWYRMSA-N
MW261.37 g/mol
LogP1.11
Rot. Bonds5

About 3-amino-N-[(3R,5R)-1-benzyl-5-methylpyrrolidin-3-yl]propanamide

3-amino-N-[(3R,5R)-1-benzyl-5-methylpyrrolidin-3-yl]propanamide (PubChem CID 124652969) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-amino-N-[(3R,5R)-1-benzyl-5-methylpyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name3-amino-N-[(3R,5R)-1-benzyl-5-methylpyrrolidin-3-yl]propanamide
PubChem CID124652969
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3-amino-N-[(3R,5R)-1-benzyl-5-methylpyrrolidin-3-yl]propanamide
SMILESC[C@@H]1C[C@@H](NC(=O)CCN)CN1Cc1ccccc1
InChIInChI=1S/C15H23N3O/c1-12-9-14(17-15(19)7-8-16)11-18(12)10-13-5-3-2-4-6-13/h2-6,12,14H,7-11,16H2,1H3,(H,17,19)/t12-,14-/m1/s1
InChIKeyOYLLMQUUEAKRES-TZMCWYRMSA-N
XLogP1.11
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzyl-5-methylpyrrolidin-3-yl)-2-(methylamino)acetamide
CID 120705010
N-(1-benzyl-5-methylpyrrolidin-3-yl)-2,2,2-trifluoroacetamide
CID 130914121
1-amino-N-(1-benzyl-5-methylpyrrolidin-3-yl)cyclopropane-1-carboxamide;dihydrochloride
CID 119895468
2-amino-N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]acetamide
CID 124692107
N-(1-benzyl-5-methylpyrrolidin-3-yl)-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119895540
1-amino-N-(1-benzyl-5-methylpyrrolidin-3-yl)cyclopentane-1-carboxamide;dihydrochloride
CID 119895498
N-(1-benzyl-5-methylpyrrolidin-3-yl)-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119895524
(2S,4S)-N-[(3R,5R)-1-benzyl-5-methylpyrrolidin-3-yl]-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 124618152
3-(2-aminophenyl)-N-(1-benzyl-2-methylpiperidin-4-yl)propanamide;dihydrochloride
CID 120612982
1-benzyl-5-methyl-N-phenylmethoxypyrrolidin-3-amine
CID 130528313
(2S,4S)-1-benzyl-4-chloro-2-methylpyrrolidine
CID 101162371
(2R,4S)-1-benzyl-4-chloro-2-methylpyrrolidine
CID 131036325

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3R,5R)-1-benzyl-5-methylpyrrolidin-3-yl]propanamide?
The IUPAC name of 3-amino-N-[(3R,5R)-1-benzyl-5-methylpyrrolidin-3-yl]propanamide (CID 124652969) is 3-amino-N-[(3R,5R)-1-benzyl-5-methylpyrrolidin-3-yl]propanamide.
What is the SMILES notation for 3-amino-N-[(3R,5R)-1-benzyl-5-methylpyrrolidin-3-yl]propanamide?
The canonical SMILES for 3-amino-N-[(3R,5R)-1-benzyl-5-methylpyrrolidin-3-yl]propanamide is C[C@@H]1C[C@@H](NC(=O)CCN)CN1Cc1ccccc1.
What is the InChIKey of 3-amino-N-[(3R,5R)-1-benzyl-5-methylpyrrolidin-3-yl]propanamide?
The InChIKey is OYLLMQUUEAKRES-TZMCWYRMSA-N. The full InChI is InChI=1S/C15H23N3O/c1-12-9-14(17-15(19)7-8-16)11-18(12)10-13-5-3-2-4-6-13/h2-6,12,14H,7-11,16H2,1H3,(H,17,19)/t12-,14-/m1/s1.
What are the key properties of 3-amino-N-[(3R,5R)-1-benzyl-5-methylpyrrolidin-3-yl]propanamide?
3-amino-N-[(3R,5R)-1-benzyl-5-methylpyrrolidin-3-yl]propanamide has a molecular weight of 261.37 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3R,5R)-1-benzyl-5-methylpyrrolidin-3-yl]propanamide is sourced from PubChem (CID 124652969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).