azane;azepane;nonanedioic acid

C15H32N2O4 — CID 67503607

IUPACazane;azepane;nonanedioic acid
SMILESC1CCCNCC1.N.O=C(O)CCCCCCCC(=O)O
InChIInChI=1S/C9H16O4.C6H13N.H3N/c10-8(11)6-4-2-1-3-5-7-9(12)13;1-2-4-6-7-5-3-1;/h1-7H2,(H,10,11)(H,12,13);7H,1-6H2;1H3
InChIKeyIAOXIWPWQQSERD-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.20
Rot. Bonds8

About azane;azepane;nonanedioic acid

azane;azepane;nonanedioic acid (PubChem CID 67503607) has the molecular formula C15H32N2O4 and a molecular weight of 304.43 g/mol. Its IUPAC name is azane;azepane;nonanedioic acid.

Molecular Properties

Compound Nameazane;azepane;nonanedioic acid
PubChem CID67503607
Molecular FormulaC15H32N2O4
Molecular Weight304.43 g/mol
Exact Mass304.24
IUPAC Nameazane;azepane;nonanedioic acid
SMILESC1CCCNCC1.N.O=C(O)CCCCCCCC(=O)O
InChIInChI=1S/C9H16O4.C6H13N.H3N/c10-8(11)6-4-2-1-3-5-7-9(12)13;1-2-4-6-7-5-3-1;/h1-7H2,(H,10,11)(H,12,13);7H,1-6H2;1H3
InChIKeyIAOXIWPWQQSERD-UHFFFAOYSA-N
XLogP3.20
TPSA121.63 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.20
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

decanedioic acid;bis(piperidine)
CID 173189213
decanoic acid;piperidine
CID 173189306
azepane;dodecanoic acid
CID 173452223
bis(hexanedioic acid);piperazine
CID 159642331
azane;tridecanedioic acid
CID 174979532
azane;decanedioic acid;nonanedioic acid
CID 174896485
piperazine;tetradecanoic acid
CID 54603068
azane;decanedioic acid;tetrahydrate
CID 175249510
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
azane;hexanedioic acid
CID 14323449
tridecanedioic acid;undecanedioic acid
CID 158333715

Frequently Asked Questions

What is the IUPAC name of azane;azepane;nonanedioic acid?
The IUPAC name of azane;azepane;nonanedioic acid (CID 67503607) is azane;azepane;nonanedioic acid.
What is the SMILES notation for azane;azepane;nonanedioic acid?
The canonical SMILES for azane;azepane;nonanedioic acid is C1CCCNCC1.N.O=C(O)CCCCCCCC(=O)O.
What is the InChIKey of azane;azepane;nonanedioic acid?
The InChIKey is IAOXIWPWQQSERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4.C6H13N.H3N/c10-8(11)6-4-2-1-3-5-7-9(12)13;1-2-4-6-7-5-3-1;/h1-7H2,(H,10,11)(H,12,13);7H,1-6H2;1H3.
What are the key properties of azane;azepane;nonanedioic acid?
azane;azepane;nonanedioic acid has a molecular weight of 304.43 g/mol, XLogP of 3.20, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;azepane;nonanedioic acid is sourced from PubChem (CID 67503607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).