alumane;(2S)-2-(dodecanoylamino)pentanedioic acid

C17H34AlNO5 — CID 173075186

IUPACalumane;(2S)-2-(dodecanoylamino)pentanedioic acid
SMILESCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O.[AlH3]
InChIInChI=1S/C17H31NO5.Al.3H/c1-2-3-4-5-6-7-8-9-10-11-15(19)18-14(17(22)23)12-13-16(20)21;;;;/h14H,2-13H2,1H3,(H,18,19)(H,20,21)(H,22,23);;;;/t14-;;;;/m0..../s1
InChIKeyXAQVSOJUCVUEOO-XCYGSCDUSA-N
MW359.44 g/mol
LogP2.16
Rot. Bonds15

About alumane;(2S)-2-(dodecanoylamino)pentanedioic acid

alumane;(2S)-2-(dodecanoylamino)pentanedioic acid (PubChem CID 173075186) has the molecular formula C17H34AlNO5 and a molecular weight of 359.44 g/mol. Its IUPAC name is alumane;(2S)-2-(dodecanoylamino)pentanedioic acid.

Molecular Properties

Compound Namealumane;(2S)-2-(dodecanoylamino)pentanedioic acid
PubChem CID173075186
Molecular FormulaC17H34AlNO5
Molecular Weight359.44 g/mol
Exact Mass359.23
IUPAC Namealumane;(2S)-2-(dodecanoylamino)pentanedioic acid
SMILESCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O.[AlH3]
InChIInChI=1S/C17H31NO5.Al.3H/c1-2-3-4-5-6-7-8-9-10-11-15(19)18-14(17(22)23)12-13-16(20)21;;;;/h14H,2-13H2,1H3,(H,18,19)(H,20,21)(H,22,23);;;;/t14-;;;;/m0..../s1
InChIKeyXAQVSOJUCVUEOO-XCYGSCDUSA-N
XLogP2.16
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.44
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(tetradecanoylamino)pentanedioic acid
CID 18634845
2-(dodecanoylamino)pentanedioic acid;bis(hexane)
CID 175093348
(2R)-2-(undecanoylamino)pentanedioic acid
CID 11472521
N-Myristoyl-L-glutamic acid sodium salt
CID 87532244
potassium (2R)-2-(dodecanoylamino)pentanedioic acid
CID 10270407
azane;(2S)-2-(dodecanoylamino)pentanedioic acid
CID 173170599
(2S)-2-(hexanoylamino)pentanedioic acid
CID 54368145
sodium;(2R)-2-(hexadecanoylamino)pentanedioic acid;hydride
CID 173283992
2-(dodecanoylamino)pentanedioic acid;bis(hexanamide)
CID 175413316
hexadecan-7-ol;(2S)-2-(hexadecanoylamino)pentanedioic acid
CID 175883903
(2S)-2-[[10-[[(1S)-1,3-dicarboxypropyl]amino]-10-oxodecanoyl]amino]pentanedioic acid
CID 92974928
2-aminoethanol;2-(tetradecanoylamino)pentanedioic acid
CID 175329690

Frequently Asked Questions

What is the IUPAC name of alumane;(2S)-2-(dodecanoylamino)pentanedioic acid?
The IUPAC name of alumane;(2S)-2-(dodecanoylamino)pentanedioic acid (CID 173075186) is alumane;(2S)-2-(dodecanoylamino)pentanedioic acid.
What is the SMILES notation for alumane;(2S)-2-(dodecanoylamino)pentanedioic acid?
The canonical SMILES for alumane;(2S)-2-(dodecanoylamino)pentanedioic acid is CCCCCCCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O.[AlH3].
What is the InChIKey of alumane;(2S)-2-(dodecanoylamino)pentanedioic acid?
The InChIKey is XAQVSOJUCVUEOO-XCYGSCDUSA-N. The full InChI is InChI=1S/C17H31NO5.Al.3H/c1-2-3-4-5-6-7-8-9-10-11-15(19)18-14(17(22)23)12-13-16(20)21;;;;/h14H,2-13H2,1H3,(H,18,19)(H,20,21)(H,22,23);;;;/t14-;;;;/m0..../s1.
What are the key properties of alumane;(2S)-2-(dodecanoylamino)pentanedioic acid?
alumane;(2S)-2-(dodecanoylamino)pentanedioic acid has a molecular weight of 359.44 g/mol, XLogP of 2.16, 15 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;(2S)-2-(dodecanoylamino)pentanedioic acid is sourced from PubChem (CID 173075186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).