(2R)-2-(3-cyclohexylpropanoylamino)hexanedioic acid

C15H25NO5 — CID 107831353

IUPAC(2R)-2-(3-cyclohexylpropanoylamino)hexanedioic acid
SMILESO=C(O)CCC[C@@H](NC(=O)CCC1CCCCC1)C(=O)O
InChIInChI=1S/C15H25NO5/c17-13(10-9-11-5-2-1-3-6-11)16-12(15(20)21)7-4-8-14(18)19/h11-12H,1-10H2,(H,16,17)(H,18,19)(H,20,21)/t12-/m1/s1
InChIKeyGMHMNQZPAMCOAP-GFCCVEGCSA-N
MW299.37 g/mol
LogP2.17
Rot. Bonds9

About (2R)-2-(3-cyclohexylpropanoylamino)hexanedioic acid

(2R)-2-(3-cyclohexylpropanoylamino)hexanedioic acid (PubChem CID 107831353) has the molecular formula C15H25NO5 and a molecular weight of 299.37 g/mol. Its IUPAC name is (2R)-2-(3-cyclohexylpropanoylamino)hexanedioic acid.

Molecular Properties

Compound Name(2R)-2-(3-cyclohexylpropanoylamino)hexanedioic acid
PubChem CID107831353
Molecular FormulaC15H25NO5
Molecular Weight299.37 g/mol
Exact Mass299.17
IUPAC Name(2R)-2-(3-cyclohexylpropanoylamino)hexanedioic acid
SMILESO=C(O)CCC[C@@H](NC(=O)CCC1CCCCC1)C(=O)O
InChIInChI=1S/C15H25NO5/c17-13(10-9-11-5-2-1-3-6-11)16-12(15(20)21)7-4-8-14(18)19/h11-12H,1-10H2,(H,16,17)(H,18,19)(H,20,21)/t12-/m1/s1
InChIKeyGMHMNQZPAMCOAP-GFCCVEGCSA-N
XLogP2.17
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-cyclohexylpropanoylamino)pentanedioic acid
CID 60708364
2-(3-cyclohexylpropanoylamino)-5-methoxypentanoic acid
CID 81076333
(2S)-2-(3-cyclobutylpropanoylamino)hexanoic acid
CID 120615360
2-(4-cyclohexylbutanoylamino)hexanoic acid
CID 43387726
(2S)-2-(3-cyclohexylpropanoylamino)-4-methylpentanoic acid
CID 10539933
(2S)-2-(3-carboxypropanoylamino)hexanedioic acid
CID 134130455
(2R)-2-(cyclooctanecarbonylamino)hexanedioic acid
CID 107831603
(2S)-2-[(2-cycloheptylacetyl)amino]pentanedioic acid
CID 104928841
2-(3-cyclopropylpropanoylamino)pentanoic acid
CID 115923947
(2R)-2-(cycloheptylcarbamoylamino)hexanedioic acid
CID 107838293
(2R)-2-(2-cyclopropylethylcarbamoylamino)hexanedioic acid
CID 107840303
(2S)-2-(3-cyclohexylpropanoylamino)-3,3-dimethylbutanoic acid
CID 61143658

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-cyclohexylpropanoylamino)hexanedioic acid?
The IUPAC name of (2R)-2-(3-cyclohexylpropanoylamino)hexanedioic acid (CID 107831353) is (2R)-2-(3-cyclohexylpropanoylamino)hexanedioic acid.
What is the SMILES notation for (2R)-2-(3-cyclohexylpropanoylamino)hexanedioic acid?
The canonical SMILES for (2R)-2-(3-cyclohexylpropanoylamino)hexanedioic acid is O=C(O)CCC[C@@H](NC(=O)CCC1CCCCC1)C(=O)O.
What is the InChIKey of (2R)-2-(3-cyclohexylpropanoylamino)hexanedioic acid?
The InChIKey is GMHMNQZPAMCOAP-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H25NO5/c17-13(10-9-11-5-2-1-3-6-11)16-12(15(20)21)7-4-8-14(18)19/h11-12H,1-10H2,(H,16,17)(H,18,19)(H,20,21)/t12-/m1/s1.
What are the key properties of (2R)-2-(3-cyclohexylpropanoylamino)hexanedioic acid?
(2R)-2-(3-cyclohexylpropanoylamino)hexanedioic acid has a molecular weight of 299.37 g/mol, XLogP of 2.17, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-cyclohexylpropanoylamino)hexanedioic acid is sourced from PubChem (CID 107831353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).