2-(3-cyclohexylpropanoylamino)pentanedioic acid

C14H23NO5 — CID 60708364

IUPAC2-(3-cyclohexylpropanoylamino)pentanedioic acid
SMILESO=C(O)CCC(NC(=O)CCC1CCCCC1)C(=O)O
InChIInChI=1S/C14H23NO5/c16-12(8-6-10-4-2-1-3-5-10)15-11(14(19)20)7-9-13(17)18/h10-11H,1-9H2,(H,15,16)(H,17,18)(H,19,20)
InChIKeyQDBMYMLMQPLABE-UHFFFAOYSA-N
MW285.34 g/mol
LogP1.78
Rot. Bonds8

About 2-(3-cyclohexylpropanoylamino)pentanedioic acid

2-(3-cyclohexylpropanoylamino)pentanedioic acid (PubChem CID 60708364) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-(3-cyclohexylpropanoylamino)pentanedioic acid.

Molecular Properties

Compound Name2-(3-cyclohexylpropanoylamino)pentanedioic acid
PubChem CID60708364
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Name2-(3-cyclohexylpropanoylamino)pentanedioic acid
SMILESO=C(O)CCC(NC(=O)CCC1CCCCC1)C(=O)O
InChIInChI=1S/C14H23NO5/c16-12(8-6-10-4-2-1-3-5-10)15-11(14(19)20)7-9-13(17)18/h10-11H,1-9H2,(H,15,16)(H,17,18)(H,19,20)
InChIKeyQDBMYMLMQPLABE-UHFFFAOYSA-N
XLogP1.78
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3-cyclohexylpropanoylamino)hexanedioic acid
CID 107831353
(2S)-2-[(2-cycloheptylacetyl)amino]pentanedioic acid
CID 104928841
2-(3-cyclohexylpropanoylamino)-5-methoxypentanoic acid
CID 81076333
(2S)-2-(3-cyclohexylpropanoylamino)-4-methylpentanoic acid
CID 10539933
(2S)-2-(3-cyclobutylpropanoylamino)hexanoic acid
CID 120615360
2-(3-cyclopropylpropanoylamino)pentanoic acid
CID 115923947
(2S)-2-[(2-cyclopropylacetyl)amino]pentanedioic acid
CID 61151881
2-(4-cyclohexylbutanoylamino)hexanoic acid
CID 43387726
(2S)-2-[[6-[[(1S)-1,3-dicarboxypropyl]amino]-6-oxohexanoyl]amino]pentanedioic acid
CID 100780583
(2S)-2-[(2-piperidin-3-ylacetyl)amino]pentanedioic acid
CID 62676165
(2S)-2-(3-cyclohexylpropanoylamino)-3,3-dimethylbutanoic acid
CID 61143658
(2S)-2-[[10-[[(1S)-1,3-dicarboxypropyl]amino]-10-oxodecanoyl]amino]pentanedioic acid
CID 92974928

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclohexylpropanoylamino)pentanedioic acid?
The IUPAC name of 2-(3-cyclohexylpropanoylamino)pentanedioic acid (CID 60708364) is 2-(3-cyclohexylpropanoylamino)pentanedioic acid.
What is the SMILES notation for 2-(3-cyclohexylpropanoylamino)pentanedioic acid?
The canonical SMILES for 2-(3-cyclohexylpropanoylamino)pentanedioic acid is O=C(O)CCC(NC(=O)CCC1CCCCC1)C(=O)O.
What is the InChIKey of 2-(3-cyclohexylpropanoylamino)pentanedioic acid?
The InChIKey is QDBMYMLMQPLABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5/c16-12(8-6-10-4-2-1-3-5-10)15-11(14(19)20)7-9-13(17)18/h10-11H,1-9H2,(H,15,16)(H,17,18)(H,19,20).
What are the key properties of 2-(3-cyclohexylpropanoylamino)pentanedioic acid?
2-(3-cyclohexylpropanoylamino)pentanedioic acid has a molecular weight of 285.34 g/mol, XLogP of 1.78, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclohexylpropanoylamino)pentanedioic acid is sourced from PubChem (CID 60708364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).