6-aminohexanoic acid;3-aminopropanoic acid

C9H20N2O4 — CID 87186200

IUPAC6-aminohexanoic acid;3-aminopropanoic acid
SMILESNCCC(=O)O.NCCCCCC(=O)O
InChIInChI=1S/C6H13NO2.C3H7NO2/c7-5-3-1-2-4-6(8)9;4-2-1-3(5)6/h1-5,7H2,(H,8,9);1-2,4H2,(H,5,6)
InChIKeyTWIKZFMPEJNDQC-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.01
Rot. Bonds7

About 6-aminohexanoic acid;3-aminopropanoic acid

6-aminohexanoic acid;3-aminopropanoic acid (PubChem CID 87186200) has the molecular formula C9H20N2O4 and a molecular weight of 220.27 g/mol. Its IUPAC name is 6-aminohexanoic acid;3-aminopropanoic acid.

Molecular Properties

Compound Name6-aminohexanoic acid;3-aminopropanoic acid
PubChem CID87186200
Molecular FormulaC9H20N2O4
Molecular Weight220.27 g/mol
Exact Mass220.14
IUPAC Name6-aminohexanoic acid;3-aminopropanoic acid
SMILESNCCC(=O)O.NCCCCCC(=O)O
InChIInChI=1S/C6H13NO2.C3H7NO2/c7-5-3-1-2-4-6(8)9;4-2-1-3(5)6/h1-5,7H2,(H,8,9);1-2,4H2,(H,5,6)
InChIKeyTWIKZFMPEJNDQC-UHFFFAOYSA-N
XLogP0.01
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

heptanedioic acid;hexane-1,6-diamine
CID 174639050
nonanedioic acid;tridecane-1,13-diamine
CID 21330241
6-aminohexanoic acid;zinc
CID 175049463
12-aminododecanoic acid;hydrochloride
CID 12651573
azane;decanedioic acid;hexane-1,6-diamine;hexanedioic acid
CID 173314981
11-aminoundecanoic acid;ethane
CID 144914161
acetylene;6-aminohexanoic acid
CID 143110448
12-aminododecanoic acid;carbamic acid
CID 157488032
6-aminohexanoic acid;ethane;molecular hydrogen
CID 143775887
alumane;6-aminohexanoic acid;zirconium;hydrochloride
CID 173334193
12-amino-7-oxododecanoic acid
CID 4206597
pentan-1-amine;tetradecanoic acid
CID 174809000

Frequently Asked Questions

What is the IUPAC name of 6-aminohexanoic acid;3-aminopropanoic acid?
The IUPAC name of 6-aminohexanoic acid;3-aminopropanoic acid (CID 87186200) is 6-aminohexanoic acid;3-aminopropanoic acid.
What is the SMILES notation for 6-aminohexanoic acid;3-aminopropanoic acid?
The canonical SMILES for 6-aminohexanoic acid;3-aminopropanoic acid is NCCC(=O)O.NCCCCCC(=O)O.
What is the InChIKey of 6-aminohexanoic acid;3-aminopropanoic acid?
The InChIKey is TWIKZFMPEJNDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.C3H7NO2/c7-5-3-1-2-4-6(8)9;4-2-1-3(5)6/h1-5,7H2,(H,8,9);1-2,4H2,(H,5,6).
What are the key properties of 6-aminohexanoic acid;3-aminopropanoic acid?
6-aminohexanoic acid;3-aminopropanoic acid has a molecular weight of 220.27 g/mol, XLogP of 0.01, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-aminohexanoic acid;3-aminopropanoic acid is sourced from PubChem (CID 87186200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).