1-(2-amino-5-methoxypentanoyl)-N-methylpyrrolidine-2-carboxamide

C12H23N3O3 — CID 81089238

IUPAC1-(2-amino-5-methoxypentanoyl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)C(N)CCCOC
InChIInChI=1S/C12H23N3O3/c1-14-11(16)10-6-3-7-15(10)12(17)9(13)5-4-8-18-2/h9-10H,3-8,13H2,1-2H3,(H,14,16)
InChIKeyGFBFXASVKFHPLG-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.52
Rot. Bonds6

About 1-(2-amino-5-methoxypentanoyl)-N-methylpyrrolidine-2-carboxamide

1-(2-amino-5-methoxypentanoyl)-N-methylpyrrolidine-2-carboxamide (PubChem CID 81089238) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-(2-amino-5-methoxypentanoyl)-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-amino-5-methoxypentanoyl)-N-methylpyrrolidine-2-carboxamide
PubChem CID81089238
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name1-(2-amino-5-methoxypentanoyl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)C(N)CCCOC
InChIInChI=1S/C12H23N3O3/c1-14-11(16)10-6-3-7-15(10)12(17)9(13)5-4-8-18-2/h9-10H,3-8,13H2,1-2H3,(H,14,16)
InChIKeyGFBFXASVKFHPLG-UHFFFAOYSA-N
XLogP-0.52
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.52
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-amino-5-methoxypentanoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 81083197
(2S)-1-[(2S)-1-[(2R)-1-[(2S)-1-[(2S)-1-[(2S)-2-aminohexanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]-N-methylpyrrolidine-2-carboxamide
CID 155118953
1-(2,4-diamino-4-oxobutanoyl)-N-methylpyrrolidine-2-carboxamide
CID 60954201
1-(2-amino-4-methoxybutanoyl)pyrrolidine-2-carboxamide
CID 62473351
1-(2-amino-4-methylsulfonylbutanoyl)-N-methylpiperidine-2-carboxamide
CID 60944712
2-amino-1-(2-cyclohexylpyrrolidin-1-yl)-5-methoxypentan-1-one
CID 81089538
1-(2-amino-5-methoxypentanoyl)-3-methylpiperidine-2-carboxylic acid
CID 107068899
2-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-5-methoxypentan-1-one
CID 81088440
1-(2-aminohexanoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 54870726
1-(2-amino-3-methoxypropanoyl)pyrrolidine-2-carboxamide
CID 81081543
2-amino-4-methoxy-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 62472696
1-[(2S)-2-amino-3-phenylpropanoyl]-N-methylpyrrolidine-2-carboxamide
CID 61164772

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-methoxypentanoyl)-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-amino-5-methoxypentanoyl)-N-methylpyrrolidine-2-carboxamide (CID 81089238) is 1-(2-amino-5-methoxypentanoyl)-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-amino-5-methoxypentanoyl)-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-amino-5-methoxypentanoyl)-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1C(=O)C(N)CCCOC.
What is the InChIKey of 1-(2-amino-5-methoxypentanoyl)-N-methylpyrrolidine-2-carboxamide?
The InChIKey is GFBFXASVKFHPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-14-11(16)10-6-3-7-15(10)12(17)9(13)5-4-8-18-2/h9-10H,3-8,13H2,1-2H3,(H,14,16).
What are the key properties of 1-(2-amino-5-methoxypentanoyl)-N-methylpyrrolidine-2-carboxamide?
1-(2-amino-5-methoxypentanoyl)-N-methylpyrrolidine-2-carboxamide has a molecular weight of 257.33 g/mol, XLogP of -0.52, 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-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 81089238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).