potassium;(2S)-2-(dodecanoylamino)pentanedioate;hydron

C17H30KNO5 — CID 71587285

IUPACpotassium;(2S)-2-(dodecanoylamino)pentanedioate;hydron
SMILESCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-].[H+].[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/p-1/t14-;/m0./s1
InChIKeyWNEHWYCWKDNRFW-UQKRIMTDSA-M
MW367.53 g/mol
LogP-2.21
Rot. Bonds15

About potassium;(2S)-2-(dodecanoylamino)pentanedioate;hydron

potassium;(2S)-2-(dodecanoylamino)pentanedioate;hydron (PubChem CID 71587285) has the molecular formula C17H30KNO5 and a molecular weight of 367.53 g/mol. Its IUPAC name is potassium;(2S)-2-(dodecanoylamino)pentanedioate;hydron.

Molecular Properties

Compound Namepotassium;(2S)-2-(dodecanoylamino)pentanedioate;hydron
PubChem CID71587285
Molecular FormulaC17H30KNO5
Molecular Weight367.53 g/mol
Exact Mass367.18
IUPAC Namepotassium;(2S)-2-(dodecanoylamino)pentanedioate;hydron
SMILESCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-].[H+].[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/p-1/t14-;/m0./s1
InChIKeyWNEHWYCWKDNRFW-UQKRIMTDSA-M
XLogP-2.21
TPSA109.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.53
LogP ≤ 5-2.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

calcium;hydride;(2S)-2-(octadecanoylamino)pentanedioate
CID 139597136
potassium;hydron;(2S)-2-[[(9Z,12Z)-octadeca-9,12-dienoyl]amino]pentanedioate
CID 76960316
5-hydroxy-2-(octadecanoylamino)-5-oxopentanoate
CID 20606586
aluminum tris((2S)-5-hydroxy-5-oxo-2-(tetradecanoylamino)pentanoate)
CID 173022348
dipotassium;(2S)-2-(dodecanoylamino)butanedioate
CID 87121612
zinc bis((2S)-6-amino-2-(dodecanoylamino)hexanoate)
CID 157255279
azanium (2S)-5-hydroxy-2-[[(Z)-octadec-9-enoyl]amino]-5-oxopentanoate
CID 139968321
lithium 2-(octadecanoylamino)-3-sulfanylpropanoate
CID 87246338
lithium (2R)-2-(octadecanoylamino)-3-sulfanylpropanoate
CID 87246339
sodium (2R)-2-(dodecanoylamino)-3-sulfanylpropanoate
CID 71466595
disodium;(2S)-2-(undec-10-enoylamino)pentanedioate
CID 169423507
sodium (2S)-2-(hexanoylamino)-4-methylsulfanylbutanoate
CID 141400638

Frequently Asked Questions

What is the IUPAC name of potassium;(2S)-2-(dodecanoylamino)pentanedioate;hydron?
The IUPAC name of potassium;(2S)-2-(dodecanoylamino)pentanedioate;hydron (CID 71587285) is potassium;(2S)-2-(dodecanoylamino)pentanedioate;hydron.
What is the SMILES notation for potassium;(2S)-2-(dodecanoylamino)pentanedioate;hydron?
The canonical SMILES for potassium;(2S)-2-(dodecanoylamino)pentanedioate;hydron is CCCCCCCCCCCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-].[H+].[K+].
What is the InChIKey of potassium;(2S)-2-(dodecanoylamino)pentanedioate;hydron?
The InChIKey is WNEHWYCWKDNRFW-UQKRIMTDSA-M. 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/p-1/t14-;/m0./s1.
What are the key properties of potassium;(2S)-2-(dodecanoylamino)pentanedioate;hydron?
potassium;(2S)-2-(dodecanoylamino)pentanedioate;hydron has a molecular weight of 367.53 g/mol, XLogP of -2.21, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;(2S)-2-(dodecanoylamino)pentanedioate;hydron is sourced from PubChem (CID 71587285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).