potassium (2R)-2-(dodecanoylamino)pentanedioic acid

C17H31KNO5+ — CID 10270407

IUPACpotassium (2R)-2-(dodecanoylamino)pentanedioic acid
SMILESCCCCCCCCCCCC(=O)N[C@H](CCC(=O)O)C(=O)O.[K+]
InChIInChI=1S/C17H31NO5.K/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);/q;+1/t14-;/m1./s1
InChIKeyWNEHWYCWKDNRFW-PFEQFJNWSA-N
MW368.54 g/mol
LogP0.35
Rot. Bonds15

About potassium (2R)-2-(dodecanoylamino)pentanedioic acid

potassium (2R)-2-(dodecanoylamino)pentanedioic acid (PubChem CID 10270407) has the molecular formula C17H31KNO5+ and a molecular weight of 368.54 g/mol. Its IUPAC name is potassium (2R)-2-(dodecanoylamino)pentanedioic acid.

Molecular Properties

Compound Namepotassium (2R)-2-(dodecanoylamino)pentanedioic acid
PubChem CID10270407
Molecular FormulaC17H31KNO5+
Molecular Weight368.54 g/mol
Exact Mass368.18
IUPAC Namepotassium (2R)-2-(dodecanoylamino)pentanedioic acid
SMILESCCCCCCCCCCCC(=O)N[C@H](CCC(=O)O)C(=O)O.[K+]
InChIInChI=1S/C17H31NO5.K/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);/q;+1/t14-;/m1./s1
InChIKeyWNEHWYCWKDNRFW-PFEQFJNWSA-N
XLogP0.35
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.54
LogP ≤ 50.35
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
azane;(2S)-2-(dodecanoylamino)pentanedioic acid
CID 173170599
alumane;(2S)-2-(dodecanoylamino)pentanedioic acid
CID 173075186
(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 potassium (2R)-2-(dodecanoylamino)pentanedioic acid?
The IUPAC name of potassium (2R)-2-(dodecanoylamino)pentanedioic acid (CID 10270407) is potassium (2R)-2-(dodecanoylamino)pentanedioic acid.
What is the SMILES notation for potassium (2R)-2-(dodecanoylamino)pentanedioic acid?
The canonical SMILES for potassium (2R)-2-(dodecanoylamino)pentanedioic acid is CCCCCCCCCCCC(=O)N[C@H](CCC(=O)O)C(=O)O.[K+].
What is the InChIKey of potassium (2R)-2-(dodecanoylamino)pentanedioic acid?
The InChIKey is WNEHWYCWKDNRFW-PFEQFJNWSA-N. The full InChI is InChI=1S/C17H31NO5.K/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);/q;+1/t14-;/m1./s1.
What are the key properties of potassium (2R)-2-(dodecanoylamino)pentanedioic acid?
potassium (2R)-2-(dodecanoylamino)pentanedioic acid has a molecular weight of 368.54 g/mol, XLogP of 0.35, 15 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (2R)-2-(dodecanoylamino)pentanedioic acid is sourced from PubChem (CID 10270407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).