1-(6-acetamidohexanoyl)-2-methylpyrrolidine-3-carboxylic acid

C14H24N2O4 — CID 79363933

IUPAC1-(6-acetamidohexanoyl)-2-methylpyrrolidine-3-carboxylic acid
SMILESCC(=O)NCCCCCC(=O)N1CCC(C(=O)O)C1C
InChIInChI=1S/C14H24N2O4/c1-10-12(14(19)20)7-9-16(10)13(18)6-4-3-5-8-15-11(2)17/h10,12H,3-9H2,1-2H3,(H,15,17)(H,19,20)
InChIKeyNDHMUTLUWZSELF-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.00
Rot. Bonds7

About 1-(6-acetamidohexanoyl)-2-methylpyrrolidine-3-carboxylic acid

1-(6-acetamidohexanoyl)-2-methylpyrrolidine-3-carboxylic acid (PubChem CID 79363933) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(6-acetamidohexanoyl)-2-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(6-acetamidohexanoyl)-2-methylpyrrolidine-3-carboxylic acid
PubChem CID79363933
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name1-(6-acetamidohexanoyl)-2-methylpyrrolidine-3-carboxylic acid
SMILESCC(=O)NCCCCCC(=O)N1CCC(C(=O)O)C1C
InChIInChI=1S/C14H24N2O4/c1-10-12(14(19)20)7-9-16(10)13(18)6-4-3-5-8-15-11(2)17/h10,12H,3-9H2,1-2H3,(H,15,17)(H,19,20)
InChIKeyNDHMUTLUWZSELF-UHFFFAOYSA-N
XLogP1.00
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-decanoyl-2-methylpyrrolidine-3-carboxylic acid
CID 79363466
2-methyl-1-[3-(methylamino)propanoyl]pyrrolidine-3-carboxylic acid
CID 79372570
1-(6-acetamidohexanoyl)azepane-2-carboxylic acid
CID 64559922
(4R)-3-(6-acetamidohexanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61143319
1-(6-acetamidohexanoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 43359689
2-(6-acetamidohexanoyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 119212862
N-[6-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-6-oxohexyl]acetamide
CID 94053945
1-[3-(cyclopropylamino)propylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79382716
N-(8-oxononyl)acetamide
CID 58114719
(2R,3S)-2-methylpyrrolidine-1,3-dicarboxylic acid
CID 137367540
1-(3-acetamidopropanoyl)piperidine-3,4-dicarboxylic acid
CID 115918220
methyl 1-(6-acetamidohexanoyl)piperidine-3-carboxylate
CID 78918849

Frequently Asked Questions

What is the IUPAC name of 1-(6-acetamidohexanoyl)-2-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(6-acetamidohexanoyl)-2-methylpyrrolidine-3-carboxylic acid (CID 79363933) is 1-(6-acetamidohexanoyl)-2-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(6-acetamidohexanoyl)-2-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(6-acetamidohexanoyl)-2-methylpyrrolidine-3-carboxylic acid is CC(=O)NCCCCCC(=O)N1CCC(C(=O)O)C1C.
What is the InChIKey of 1-(6-acetamidohexanoyl)-2-methylpyrrolidine-3-carboxylic acid?
The InChIKey is NDHMUTLUWZSELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-10-12(14(19)20)7-9-16(10)13(18)6-4-3-5-8-15-11(2)17/h10,12H,3-9H2,1-2H3,(H,15,17)(H,19,20).
What are the key properties of 1-(6-acetamidohexanoyl)-2-methylpyrrolidine-3-carboxylic acid?
1-(6-acetamidohexanoyl)-2-methylpyrrolidine-3-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-acetamidohexanoyl)-2-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79363933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).