azane;decanedioic acid;nonanedioic acid

C19H37NO8 — CID 174896485

IUPACazane;decanedioic acid;nonanedioic acid
SMILESN.O=C(O)CCCCCCCC(=O)O.O=C(O)CCCCCCCCC(=O)O
InChIInChI=1S/C10H18O4.C9H16O4.H3N/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;10-8(11)6-4-2-1-3-5-7-9(12)13;/h1-8H2,(H,11,12)(H,13,14);1-7H2,(H,10,11)(H,12,13);1H3
InChIKeyPNCPZEBBZIOPOS-UHFFFAOYSA-N
MW407.50 g/mol
LogP4.32
Rot. Bonds17

About azane;decanedioic acid;nonanedioic acid

azane;decanedioic acid;nonanedioic acid (PubChem CID 174896485) has the molecular formula C19H37NO8 and a molecular weight of 407.50 g/mol. Its IUPAC name is azane;decanedioic acid;nonanedioic acid.

Molecular Properties

Compound Nameazane;decanedioic acid;nonanedioic acid
PubChem CID174896485
Molecular FormulaC19H37NO8
Molecular Weight407.50 g/mol
Exact Mass407.25
IUPAC Nameazane;decanedioic acid;nonanedioic acid
SMILESN.O=C(O)CCCCCCCC(=O)O.O=C(O)CCCCCCCCC(=O)O
InChIInChI=1S/C10H18O4.C9H16O4.H3N/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;10-8(11)6-4-2-1-3-5-7-9(12)13;/h1-8H2,(H,11,12)(H,13,14);1-7H2,(H,10,11)(H,12,13);1H3
InChIKeyPNCPZEBBZIOPOS-UHFFFAOYSA-N
XLogP4.32
TPSA184.20 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 54.32
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

azane;tridecanedioic acid
CID 174979532
azane;decanedioic acid;tetrahydrate
CID 175249510
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
tridecanedioic acid;undecanedioic acid
CID 158333715
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
heptadecanedioic acid
CID 3083765
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
azane;hexanedioic acid
CID 14323449
triacontanedioic acid
CID 5322010
dodecanedioic acid;bis(tridecanedioic acid)
CID 87373965
decanedioic acid;icosanedioic acid
CID 161217033

Frequently Asked Questions

What is the IUPAC name of azane;decanedioic acid;nonanedioic acid?
The IUPAC name of azane;decanedioic acid;nonanedioic acid (CID 174896485) is azane;decanedioic acid;nonanedioic acid.
What is the SMILES notation for azane;decanedioic acid;nonanedioic acid?
The canonical SMILES for azane;decanedioic acid;nonanedioic acid is N.O=C(O)CCCCCCCC(=O)O.O=C(O)CCCCCCCCC(=O)O.
What is the InChIKey of azane;decanedioic acid;nonanedioic acid?
The InChIKey is PNCPZEBBZIOPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4.C9H16O4.H3N/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;10-8(11)6-4-2-1-3-5-7-9(12)13;/h1-8H2,(H,11,12)(H,13,14);1-7H2,(H,10,11)(H,12,13);1H3.
What are the key properties of azane;decanedioic acid;nonanedioic acid?
azane;decanedioic acid;nonanedioic acid has a molecular weight of 407.50 g/mol, XLogP of 4.32, 17 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;decanedioic acid;nonanedioic acid is sourced from PubChem (CID 174896485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).