6-aminohexanoic acid;1-hydroxypyrrolidine-2,5-dione

C10H18N2O5 — CID 66780304

IUPAC6-aminohexanoic acid;1-hydroxypyrrolidine-2,5-dione
SMILESNCCCCCC(=O)O.O=C1CCC(=O)N1O
InChIInChI=1S/C6H13NO2.C4H5NO3/c7-5-3-1-2-4-6(8)9;6-3-1-2-4(7)5(3)8/h1-5,7H2,(H,8,9);8H,1-2H2
InChIKeyURLOWBXNQIYFHV-UHFFFAOYSA-N
MW246.26 g/mol
LogP0.11
Rot. Bonds5

About 6-aminohexanoic acid;1-hydroxypyrrolidine-2,5-dione

6-aminohexanoic acid;1-hydroxypyrrolidine-2,5-dione (PubChem CID 66780304) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is 6-aminohexanoic acid;1-hydroxypyrrolidine-2,5-dione.

Molecular Properties

Compound Name6-aminohexanoic acid;1-hydroxypyrrolidine-2,5-dione
PubChem CID66780304
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name6-aminohexanoic acid;1-hydroxypyrrolidine-2,5-dione
SMILESNCCCCCC(=O)O.O=C1CCC(=O)N1O
InChIInChI=1S/C6H13NO2.C4H5NO3/c7-5-3-1-2-4-6(8)9;6-3-1-2-4(7)5(3)8/h1-5,7H2,(H,8,9);8H,1-2H2
InChIKeyURLOWBXNQIYFHV-UHFFFAOYSA-N
XLogP0.11
TPSA120.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-hydroxypyrrolidine-2,5-dione;tetradecanoic acid
CID 68586351
4-bromobutanoic acid;1-hydroxypyrrolidine-2,5-dione
CID 23440073
1-hydroxypyrrolidine-2,5-dione;16-methylheptadecanoic acid
CID 175876863
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
12-aminododecanoic acid;1-O-tert-butyl 14-O-(2,5-dioxopyrrolidin-1-yl) tetradecanedioate;dichloromethane;1-hydroxypyrrolidine-2,5-dione;14-[(2-methylpropan-2-yl)oxy]-14-oxotetradecanoic acid;tritium monohydride
CID 162160619
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 6-aminohexanoic acid;1-hydroxypyrrolidine-2,5-dione?
The IUPAC name of 6-aminohexanoic acid;1-hydroxypyrrolidine-2,5-dione (CID 66780304) is 6-aminohexanoic acid;1-hydroxypyrrolidine-2,5-dione.
What is the SMILES notation for 6-aminohexanoic acid;1-hydroxypyrrolidine-2,5-dione?
The canonical SMILES for 6-aminohexanoic acid;1-hydroxypyrrolidine-2,5-dione is NCCCCCC(=O)O.O=C1CCC(=O)N1O.
What is the InChIKey of 6-aminohexanoic acid;1-hydroxypyrrolidine-2,5-dione?
The InChIKey is URLOWBXNQIYFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.C4H5NO3/c7-5-3-1-2-4-6(8)9;6-3-1-2-4(7)5(3)8/h1-5,7H2,(H,8,9);8H,1-2H2.
What are the key properties of 6-aminohexanoic acid;1-hydroxypyrrolidine-2,5-dione?
6-aminohexanoic acid;1-hydroxypyrrolidine-2,5-dione has a molecular weight of 246.26 g/mol, XLogP of 0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-aminohexanoic acid;1-hydroxypyrrolidine-2,5-dione is sourced from PubChem (CID 66780304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).