1-(2-amino-5-methoxypentanoyl)-N,3-dimethylpyrrolidine-3-carboxamide

C13H25N3O3 — CID 106318300

IUPAC1-(2-amino-5-methoxypentanoyl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(C(=O)C(N)CCCOC)C1
InChIInChI=1S/C13H25N3O3/c1-13(12(18)15-2)6-7-16(9-13)11(17)10(14)5-4-8-19-3/h10H,4-9,14H2,1-3H3,(H,15,18)
InChIKeyLEXJHDZAAHXDOZ-UHFFFAOYSA-N
MW271.36 g/mol
LogP-0.28
Rot. Bonds6

About 1-(2-amino-5-methoxypentanoyl)-N,3-dimethylpyrrolidine-3-carboxamide

1-(2-amino-5-methoxypentanoyl)-N,3-dimethylpyrrolidine-3-carboxamide (PubChem CID 106318300) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(2-amino-5-methoxypentanoyl)-N,3-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-amino-5-methoxypentanoyl)-N,3-dimethylpyrrolidine-3-carboxamide
PubChem CID106318300
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name1-(2-amino-5-methoxypentanoyl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(C(=O)C(N)CCCOC)C1
InChIInChI=1S/C13H25N3O3/c1-13(12(18)15-2)6-7-16(9-13)11(17)10(14)5-4-8-19-3/h10H,4-9,14H2,1-3H3,(H,15,18)
InChIKeyLEXJHDZAAHXDOZ-UHFFFAOYSA-N
XLogP-0.28
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-aminopentanoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318225
1-(2-aminopropanoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318154
2-amino-5-methoxy-1-morpholin-4-ylpentan-1-one
CID 81082290
1-(4-acetylpiperazin-1-yl)-2-amino-5-methoxypentan-1-one
CID 81082869
2-amino-5-methoxy-1-(4-methylpiperazin-1-yl)pentan-1-one
CID 81081223
1-(2-aminoacetyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318155
1-(3-chloro-2-methylpropanoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317997
methyl 2-[4-(2-amino-5-methoxypentanoyl)piperazin-1-yl]acetate
CID 81088055
2-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-5-methoxypentan-1-one
CID 107218930
1-[2-amino-2-(4-methylphenyl)acetyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318151
2-amino-1-(3,3-dimethylmorpholin-4-yl)-5-methoxypentan-1-one
CID 81088420
1-(2-amino-4-methoxybutanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106981624

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-methoxypentanoyl)-N,3-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-amino-5-methoxypentanoyl)-N,3-dimethylpyrrolidine-3-carboxamide (CID 106318300) is 1-(2-amino-5-methoxypentanoyl)-N,3-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-amino-5-methoxypentanoyl)-N,3-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-amino-5-methoxypentanoyl)-N,3-dimethylpyrrolidine-3-carboxamide is CNC(=O)C1(C)CCN(C(=O)C(N)CCCOC)C1.
What is the InChIKey of 1-(2-amino-5-methoxypentanoyl)-N,3-dimethylpyrrolidine-3-carboxamide?
The InChIKey is LEXJHDZAAHXDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-13(12(18)15-2)6-7-16(9-13)11(17)10(14)5-4-8-19-3/h10H,4-9,14H2,1-3H3,(H,15,18).
What are the key properties of 1-(2-amino-5-methoxypentanoyl)-N,3-dimethylpyrrolidine-3-carboxamide?
1-(2-amino-5-methoxypentanoyl)-N,3-dimethylpyrrolidine-3-carboxamide has a molecular weight of 271.36 g/mol, XLogP of -0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-methoxypentanoyl)-N,3-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106318300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).