1-(5-amino-5-oxopentyl)pyrrolidin-1-ium-1-carboxylic acid

C10H19N2O3+ — CID 67833463

IUPAC1-(5-amino-5-oxopentyl)pyrrolidin-1-ium-1-carboxylic acid
SMILESNC(=O)CCCC[N+]1(C(=O)O)CCCC1
InChIInChI=1S/C10H18N2O3/c11-9(13)5-1-2-6-12(10(14)15)7-3-4-8-12/h1-8H2,(H2-,11,13,14,15)/p+1
InChIKeyMKRYNUNQNFZMNQ-UHFFFAOYSA-O
MW215.27 g/mol
LogP0.93
Rot. Bonds5

About 1-(5-amino-5-oxopentyl)pyrrolidin-1-ium-1-carboxylic acid

1-(5-amino-5-oxopentyl)pyrrolidin-1-ium-1-carboxylic acid (PubChem CID 67833463) has the molecular formula C10H19N2O3+ and a molecular weight of 215.27 g/mol. Its IUPAC name is 1-(5-amino-5-oxopentyl)pyrrolidin-1-ium-1-carboxylic acid.

Molecular Properties

Compound Name1-(5-amino-5-oxopentyl)pyrrolidin-1-ium-1-carboxylic acid
PubChem CID67833463
Molecular FormulaC10H19N2O3+
Molecular Weight215.27 g/mol
Exact Mass215.14
IUPAC Name1-(5-amino-5-oxopentyl)pyrrolidin-1-ium-1-carboxylic acid
SMILESNC(=O)CCCC[N+]1(C(=O)O)CCCC1
InChIInChI=1S/C10H18N2O3/c11-9(13)5-1-2-6-12(10(14)15)7-3-4-8-12/h1-8H2,(H2-,11,13,14,15)/p+1
InChIKeyMKRYNUNQNFZMNQ-UHFFFAOYSA-O
XLogP0.93
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-5-oxopentyl)pyrrolidin-1-ium-1-carboxylic acid?
The IUPAC name of 1-(5-amino-5-oxopentyl)pyrrolidin-1-ium-1-carboxylic acid (CID 67833463) is 1-(5-amino-5-oxopentyl)pyrrolidin-1-ium-1-carboxylic acid.
What is the SMILES notation for 1-(5-amino-5-oxopentyl)pyrrolidin-1-ium-1-carboxylic acid?
The canonical SMILES for 1-(5-amino-5-oxopentyl)pyrrolidin-1-ium-1-carboxylic acid is NC(=O)CCCC[N+]1(C(=O)O)CCCC1.
What is the InChIKey of 1-(5-amino-5-oxopentyl)pyrrolidin-1-ium-1-carboxylic acid?
The InChIKey is MKRYNUNQNFZMNQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H18N2O3/c11-9(13)5-1-2-6-12(10(14)15)7-3-4-8-12/h1-8H2,(H2-,11,13,14,15)/p+1.
What are the key properties of 1-(5-amino-5-oxopentyl)pyrrolidin-1-ium-1-carboxylic acid?
1-(5-amino-5-oxopentyl)pyrrolidin-1-ium-1-carboxylic acid has a molecular weight of 215.27 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-5-oxopentyl)pyrrolidin-1-ium-1-carboxylic acid is sourced from PubChem (CID 67833463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).