dipotassium;2-[4-cyclopentylbutanoyl(methyl)amino]pentanedioate

C15H23K2NO5 — CID 176759017

IUPACdipotassium;2-[4-cyclopentylbutanoyl(methyl)amino]pentanedioate
SMILESCN(C(=O)CCCC1CCCC1)C(CCC(=O)[O-])C(=O)[O-].[K+].[K+]
InChIInChI=1S/C15H25NO5.2K/c1-16(12(15(20)21)9-10-14(18)19)13(17)8-4-7-11-5-2-3-6-11;;/h11-12H,2-10H2,1H3,(H,18,19)(H,20,21);;/q;2*+1/p-2
InChIKeyPSTOMLJNLHBOED-UHFFFAOYSA-L
MW375.55 g/mol
LogP-6.54
Rot. Bonds9

About dipotassium;2-[4-cyclopentylbutanoyl(methyl)amino]pentanedioate

dipotassium;2-[4-cyclopentylbutanoyl(methyl)amino]pentanedioate (PubChem CID 176759017) has the molecular formula C15H23K2NO5 and a molecular weight of 375.55 g/mol. Its IUPAC name is dipotassium;2-[4-cyclopentylbutanoyl(methyl)amino]pentanedioate.

Molecular Properties

Compound Namedipotassium;2-[4-cyclopentylbutanoyl(methyl)amino]pentanedioate
PubChem CID176759017
Molecular FormulaC15H23K2NO5
Molecular Weight375.55 g/mol
Exact Mass375.09
IUPAC Namedipotassium;2-[4-cyclopentylbutanoyl(methyl)amino]pentanedioate
SMILESCN(C(=O)CCCC1CCCC1)C(CCC(=O)[O-])C(=O)[O-].[K+].[K+]
InChIInChI=1S/C15H25NO5.2K/c1-16(12(15(20)21)9-10-14(18)19)13(17)8-4-7-11-5-2-3-6-11;;/h11-12H,2-10H2,1H3,(H,18,19)(H,20,21);;/q;2*+1/p-2
InChIKeyPSTOMLJNLHBOED-UHFFFAOYSA-L
XLogP-6.54
TPSA100.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.55
LogP ≤ 5-6.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-4-cyclohexyl-N-methylbutanamide
CID 112817760
4-cyclohexylbutanoate;lead(2+)
CID 21118991
bis(4-cyclohexylbutanoate);iron(2+)
CID 22104083
4-cyclopentyl-N-methylbutanehydrazide
CID 116845176
4-cyclohexylbutanoate;hydron;mercury(2+)
CID 21118992
4-cyclohexylbutanoate;hydron;manganese(2+)
CID 21119793
4-cyclohexyl-N-methylbutanehydrazide
CID 116845177
4-cyclohexylbutanoate;oxalic acid
CID 91198160
sodium 5-cyclohexylpentanoate
CID 101013497
sodium 3-cyclopentylpropanoate
CID 162201470
5-cyclopentylpentan-2-one
CID 18433881
4-cyclohexyl-N-(5-hydroxypentyl)-N-methylbutanamide
CID 107202086

Frequently Asked Questions

What is the IUPAC name of dipotassium;2-[4-cyclopentylbutanoyl(methyl)amino]pentanedioate?
The IUPAC name of dipotassium;2-[4-cyclopentylbutanoyl(methyl)amino]pentanedioate (CID 176759017) is dipotassium;2-[4-cyclopentylbutanoyl(methyl)amino]pentanedioate.
What is the SMILES notation for dipotassium;2-[4-cyclopentylbutanoyl(methyl)amino]pentanedioate?
The canonical SMILES for dipotassium;2-[4-cyclopentylbutanoyl(methyl)amino]pentanedioate is CN(C(=O)CCCC1CCCC1)C(CCC(=O)[O-])C(=O)[O-].[K+].[K+].
What is the InChIKey of dipotassium;2-[4-cyclopentylbutanoyl(methyl)amino]pentanedioate?
The InChIKey is PSTOMLJNLHBOED-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H25NO5.2K/c1-16(12(15(20)21)9-10-14(18)19)13(17)8-4-7-11-5-2-3-6-11;;/h11-12H,2-10H2,1H3,(H,18,19)(H,20,21);;/q;2*+1/p-2.
What are the key properties of dipotassium;2-[4-cyclopentylbutanoyl(methyl)amino]pentanedioate?
dipotassium;2-[4-cyclopentylbutanoyl(methyl)amino]pentanedioate has a molecular weight of 375.55 g/mol, XLogP of -6.54, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;2-[4-cyclopentylbutanoyl(methyl)amino]pentanedioate is sourced from PubChem (CID 176759017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).