N-[1-(2-amino-5-methoxypentanoyl)pyrrolidin-3-yl]acetamide

C12H23N3O3 — CID 113402267

IUPACN-[1-(2-amino-5-methoxypentanoyl)pyrrolidin-3-yl]acetamide
SMILESCOCCCC(N)C(=O)N1CCC(NC(C)=O)C1
InChIInChI=1S/C12H23N3O3/c1-9(16)14-10-5-6-15(8-10)12(17)11(13)4-3-7-18-2/h10-11H,3-8,13H2,1-2H3,(H,14,16)
InChIKeyYEFXJJFKHVLLMZ-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.52
Rot. Bonds6

About N-[1-(2-amino-5-methoxypentanoyl)pyrrolidin-3-yl]acetamide

N-[1-(2-amino-5-methoxypentanoyl)pyrrolidin-3-yl]acetamide (PubChem CID 113402267) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-[1-(2-amino-5-methoxypentanoyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(2-amino-5-methoxypentanoyl)pyrrolidin-3-yl]acetamide
PubChem CID113402267
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC NameN-[1-(2-amino-5-methoxypentanoyl)pyrrolidin-3-yl]acetamide
SMILESCOCCCC(N)C(=O)N1CCC(NC(C)=O)C1
InChIInChI=1S/C12H23N3O3/c1-9(16)14-10-5-6-15(8-10)12(17)11(13)4-3-7-18-2/h10-11H,3-8,13H2,1-2H3,(H,14,16)
InChIKeyYEFXJJFKHVLLMZ-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

N-[1-(2-amino-3-methoxypropanoyl)piperidin-3-yl]acetamide
CID 81083280
N-[1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidin-3-yl]acetamide
CID 113402254
2-amino-5-methoxy-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-1-one
CID 81089522
1-(4-acetylpiperazin-1-yl)-2-amino-5-methoxypentan-1-one
CID 81082869
2-amino-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-5-methoxypentan-1-one
CID 114797556
2-amino-1-(4-tert-butylpiperidin-1-yl)-5-methoxypentan-1-one
CID 81089188
2-amino-5-methoxy-1-(4-methylazepan-1-yl)pentan-1-one
CID 81089424
N-[1-(2-amino-3-methylbutanoyl)pyrrolidin-3-yl]acetamide
CID 77144242
N-[1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-3-yl]acetamide
CID 66567654
1-(2-amino-5-methoxypentanoyl)piperidine-3-carboxamide
CID 81081411
2-amino-5-methoxy-1-(4-methylpiperazin-1-yl)pentan-1-one
CID 81081223
2-amino-1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-methoxypentan-1-one
CID 81088340

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-5-methoxypentanoyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[1-(2-amino-5-methoxypentanoyl)pyrrolidin-3-yl]acetamide (CID 113402267) is N-[1-(2-amino-5-methoxypentanoyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[1-(2-amino-5-methoxypentanoyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[1-(2-amino-5-methoxypentanoyl)pyrrolidin-3-yl]acetamide is COCCCC(N)C(=O)N1CCC(NC(C)=O)C1.
What is the InChIKey of N-[1-(2-amino-5-methoxypentanoyl)pyrrolidin-3-yl]acetamide?
The InChIKey is YEFXJJFKHVLLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-9(16)14-10-5-6-15(8-10)12(17)11(13)4-3-7-18-2/h10-11H,3-8,13H2,1-2H3,(H,14,16).
What are the key properties of N-[1-(2-amino-5-methoxypentanoyl)pyrrolidin-3-yl]acetamide?
N-[1-(2-amino-5-methoxypentanoyl)pyrrolidin-3-yl]acetamide 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 N-[1-(2-amino-5-methoxypentanoyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 113402267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).