2-aminopentanoic acid;quinolin-6-amine

C14H19N3O2 — CID 174833592

IUPAC2-aminopentanoic acid;quinolin-6-amine
SMILESCCCC(N)C(=O)O.Nc1ccc2ncccc2c1
InChIInChI=1S/C9H8N2.C5H11NO2/c10-8-3-4-9-7(6-8)2-1-5-11-9;1-2-3-4(6)5(7)8/h1-6H,10H2;4H,2-3,6H2,1H3,(H,7,8)
InChIKeyXDQWNCOCXCOBPK-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.02
Rot. Bonds3

About 2-aminopentanoic acid;quinolin-6-amine

2-aminopentanoic acid;quinolin-6-amine (PubChem CID 174833592) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-aminopentanoic acid;quinolin-6-amine.

Molecular Properties

Compound Name2-aminopentanoic acid;quinolin-6-amine
PubChem CID174833592
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-aminopentanoic acid;quinolin-6-amine
SMILESCCCC(N)C(=O)O.Nc1ccc2ncccc2c1
InChIInChI=1S/C9H8N2.C5H11NO2/c10-8-3-4-9-7(6-8)2-1-5-11-9;1-2-3-4(6)5(7)8/h1-6H,10H2;4H,2-3,6H2,1H3,(H,7,8)
InChIKeyXDQWNCOCXCOBPK-UHFFFAOYSA-N
XLogP2.02
TPSA102.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-aminopentanoic acid;quinolin-6-amine?
The IUPAC name of 2-aminopentanoic acid;quinolin-6-amine (CID 174833592) is 2-aminopentanoic acid;quinolin-6-amine.
What is the SMILES notation for 2-aminopentanoic acid;quinolin-6-amine?
The canonical SMILES for 2-aminopentanoic acid;quinolin-6-amine is CCCC(N)C(=O)O.Nc1ccc2ncccc2c1.
What is the InChIKey of 2-aminopentanoic acid;quinolin-6-amine?
The InChIKey is XDQWNCOCXCOBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2.C5H11NO2/c10-8-3-4-9-7(6-8)2-1-5-11-9;1-2-3-4(6)5(7)8/h1-6H,10H2;4H,2-3,6H2,1H3,(H,7,8).
What are the key properties of 2-aminopentanoic acid;quinolin-6-amine?
2-aminopentanoic acid;quinolin-6-amine has a molecular weight of 261.32 g/mol, XLogP of 2.02, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopentanoic acid;quinolin-6-amine is sourced from PubChem (CID 174833592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).