azane;4-decoxy-4-oxobutanoic acid

C14H29NO4 — CID 174695471

IUPACazane;4-decoxy-4-oxobutanoic acid
SMILESCCCCCCCCCCOC(=O)CCC(=O)O.N
InChIInChI=1S/C14H26O4.H3N/c1-2-3-4-5-6-7-8-9-12-18-14(17)11-10-13(15)16;/h2-12H2,1H3,(H,15,16);1H3
InChIKeyRSNGOEAAAGKFMW-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.70
Rot. Bonds12

About azane;4-decoxy-4-oxobutanoic acid

azane;4-decoxy-4-oxobutanoic acid (PubChem CID 174695471) has the molecular formula C14H29NO4 and a molecular weight of 275.39 g/mol. Its IUPAC name is azane;4-decoxy-4-oxobutanoic acid.

Molecular Properties

Compound Nameazane;4-decoxy-4-oxobutanoic acid
PubChem CID174695471
Molecular FormulaC14H29NO4
Molecular Weight275.39 g/mol
Exact Mass275.21
IUPAC Nameazane;4-decoxy-4-oxobutanoic acid
SMILESCCCCCCCCCCOC(=O)CCC(=O)O.N
InChIInChI=1S/C14H26O4.H3N/c1-2-3-4-5-6-7-8-9-12-18-14(17)11-10-13(15)16;/h2-12H2,1H3,(H,15,16);1H3
InChIKeyRSNGOEAAAGKFMW-UHFFFAOYSA-N
XLogP3.70
TPSA98.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 172796550
CID 172796550
calcium;4-hexadecoxy-4-oxobutanoic acid;hydride
CID 173451221
dihexadecyl butanedioate
CID 3572854
1-O-octyl 4-O-undecyl butanedioate
CID 91702141
1-O-dodecyl 4-O-octadecyl butanedioate
CID 151076861
hexadecyl octadecanoate;bis(octadecanoic acid)
CID 175591464
octadecanoic acid;tridecyl octadecanoate
CID 88512986
dodecanoic acid;hexyl decanoate
CID 175361588
6-octacosoxy-6-oxohexanoic acid
CID 154142951
8-(10-nonanoyloxydecanoyloxy)octanoic acid
CID 173430215
didecyl hexanedioate;dioctyl hexanedioate;bis(hexanedioic acid)
CID 159854583
6-heptoxy-6-oxohexanoic acid;hexanedioic acid
CID 158770856

Frequently Asked Questions

What is the IUPAC name of azane;4-decoxy-4-oxobutanoic acid?
The IUPAC name of azane;4-decoxy-4-oxobutanoic acid (CID 174695471) is azane;4-decoxy-4-oxobutanoic acid.
What is the SMILES notation for azane;4-decoxy-4-oxobutanoic acid?
The canonical SMILES for azane;4-decoxy-4-oxobutanoic acid is CCCCCCCCCCOC(=O)CCC(=O)O.N.
What is the InChIKey of azane;4-decoxy-4-oxobutanoic acid?
The InChIKey is RSNGOEAAAGKFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4.H3N/c1-2-3-4-5-6-7-8-9-12-18-14(17)11-10-13(15)16;/h2-12H2,1H3,(H,15,16);1H3.
What are the key properties of azane;4-decoxy-4-oxobutanoic acid?
azane;4-decoxy-4-oxobutanoic acid has a molecular weight of 275.39 g/mol, XLogP of 3.70, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;4-decoxy-4-oxobutanoic acid is sourced from PubChem (CID 174695471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).