8-aminooctanoic acid;pyrrolidine-1-carboxamide;hydrochloride

C13H28ClN3O3 — CID 67562559

IUPAC8-aminooctanoic acid;pyrrolidine-1-carboxamide;hydrochloride
SMILESCl.NC(=O)N1CCCC1.NCCCCCCCC(=O)O
InChIInChI=1S/C8H17NO2.C5H10N2O.ClH/c9-7-5-3-1-2-4-6-8(10)11;6-5(8)7-3-1-2-4-7;/h1-7,9H2,(H,10,11);1-4H2,(H2,6,8);1H
InChIKeyFNXDQBFTBLVACC-UHFFFAOYSA-N
MW309.84 g/mol
LogP1.95
Rot. Bonds7

About 8-aminooctanoic acid;pyrrolidine-1-carboxamide;hydrochloride

8-aminooctanoic acid;pyrrolidine-1-carboxamide;hydrochloride (PubChem CID 67562559) has the molecular formula C13H28ClN3O3 and a molecular weight of 309.84 g/mol. Its IUPAC name is 8-aminooctanoic acid;pyrrolidine-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name8-aminooctanoic acid;pyrrolidine-1-carboxamide;hydrochloride
PubChem CID67562559
Molecular FormulaC13H28ClN3O3
Molecular Weight309.84 g/mol
Exact Mass309.18
IUPAC Name8-aminooctanoic acid;pyrrolidine-1-carboxamide;hydrochloride
SMILESCl.NC(=O)N1CCCC1.NCCCCCCCC(=O)O
InChIInChI=1S/C8H17NO2.C5H10N2O.ClH/c9-7-5-3-1-2-4-6-8(10)11;6-5(8)7-3-1-2-4-7;/h1-7,9H2,(H,10,11);1-4H2,(H2,6,8);1H
InChIKeyFNXDQBFTBLVACC-UHFFFAOYSA-N
XLogP1.95
TPSA109.65 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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nonanedioic acid;tridecane-1,13-diamine
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CID 24707646
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6-aminohexanoic acid;zinc
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CID 173314981
6-(azepan-1-yl)-6-oxohexanamide;hexane-1,6-diamine
CID 174378277
6-aminohexanoic acid;3-aminopropanoic acid
CID 87186200
11-aminoundecanoic acid;ethane
CID 144914161
acetylene;6-aminohexanoic acid
CID 143110448

Frequently Asked Questions

What is the IUPAC name of 8-aminooctanoic acid;pyrrolidine-1-carboxamide;hydrochloride?
The IUPAC name of 8-aminooctanoic acid;pyrrolidine-1-carboxamide;hydrochloride (CID 67562559) is 8-aminooctanoic acid;pyrrolidine-1-carboxamide;hydrochloride.
What is the SMILES notation for 8-aminooctanoic acid;pyrrolidine-1-carboxamide;hydrochloride?
The canonical SMILES for 8-aminooctanoic acid;pyrrolidine-1-carboxamide;hydrochloride is Cl.NC(=O)N1CCCC1.NCCCCCCCC(=O)O.
What is the InChIKey of 8-aminooctanoic acid;pyrrolidine-1-carboxamide;hydrochloride?
The InChIKey is FNXDQBFTBLVACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2.C5H10N2O.ClH/c9-7-5-3-1-2-4-6-8(10)11;6-5(8)7-3-1-2-4-7;/h1-7,9H2,(H,10,11);1-4H2,(H2,6,8);1H.
What are the key properties of 8-aminooctanoic acid;pyrrolidine-1-carboxamide;hydrochloride?
8-aminooctanoic acid;pyrrolidine-1-carboxamide;hydrochloride has a molecular weight of 309.84 g/mol, XLogP of 1.95, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-aminooctanoic acid;pyrrolidine-1-carboxamide;hydrochloride is sourced from PubChem (CID 67562559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).