(2R)-2-(cyclooctanecarbonylamino)hexanedioic acid

C15H25NO5 — CID 107831603

IUPAC(2R)-2-(cyclooctanecarbonylamino)hexanedioic acid
SMILESO=C(O)CCC[C@@H](NC(=O)C1CCCCCCC1)C(=O)O
InChIInChI=1S/C15H25NO5/c17-13(18)10-6-9-12(15(20)21)16-14(19)11-7-4-2-1-3-5-8-11/h11-12H,1-10H2,(H,16,19)(H,17,18)(H,20,21)/t12-/m1/s1
InChIKeyYMUHXBRGCHKENA-GFCCVEGCSA-N
MW299.37 g/mol
LogP2.17
Rot. Bonds7

About (2R)-2-(cyclooctanecarbonylamino)hexanedioic acid

(2R)-2-(cyclooctanecarbonylamino)hexanedioic acid (PubChem CID 107831603) has the molecular formula C15H25NO5 and a molecular weight of 299.37 g/mol. Its IUPAC name is (2R)-2-(cyclooctanecarbonylamino)hexanedioic acid.

Molecular Properties

Compound Name(2R)-2-(cyclooctanecarbonylamino)hexanedioic acid
PubChem CID107831603
Molecular FormulaC15H25NO5
Molecular Weight299.37 g/mol
Exact Mass299.17
IUPAC Name(2R)-2-(cyclooctanecarbonylamino)hexanedioic acid
SMILESO=C(O)CCC[C@@H](NC(=O)C1CCCCCCC1)C(=O)O
InChIInChI=1S/C15H25NO5/c17-13(18)10-6-9-12(15(20)21)16-14(19)11-7-4-2-1-3-5-8-11/h11-12H,1-10H2,(H,16,19)(H,17,18)(H,20,21)/t12-/m1/s1
InChIKeyYMUHXBRGCHKENA-GFCCVEGCSA-N
XLogP2.17
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
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-(cyclobutanecarbonylamino)pentanedioic acid
CID 60657073
(2S)-6-amino-2-(cyclohexanecarbonylamino)hexanoic acid
CID 22838737
5-(cyclopentanecarbonylamino)hexanoic acid
CID 82854691
2-(cycloheptanecarbonylamino)-5-methoxypentanoic acid
CID 81077074
(2R)-2-[(3-aminocyclopentanecarbonyl)amino]hexanedioic acid
CID 107835514
(2R)-2-(cycloheptylcarbamoylamino)hexanedioic acid
CID 107838293
(2R)-2-(3-cyclohexylpropanoylamino)hexanedioic acid
CID 107831353
2-(cycloheptanecarbonylamino)-4-methoxybutanoic acid
CID 55091388
(2S)-2-(cyclohexanecarbonylamino)-4-methylsulfanylbutanoic acid
CID 40617599
(2R)-2-(cyclobutanecarbonylamino)-4-hydroxybutanoic acid
CID 107823219
(2R)-2-(thiolane-2-carbonylamino)hexanedioic acid
CID 107831322
2-(cyclohexanecarbonylamino)-4-ethylsulfonylbutanoic acid
CID 108755127

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(cyclooctanecarbonylamino)hexanedioic acid?
The IUPAC name of (2R)-2-(cyclooctanecarbonylamino)hexanedioic acid (CID 107831603) is (2R)-2-(cyclooctanecarbonylamino)hexanedioic acid.
What is the SMILES notation for (2R)-2-(cyclooctanecarbonylamino)hexanedioic acid?
The canonical SMILES for (2R)-2-(cyclooctanecarbonylamino)hexanedioic acid is O=C(O)CCC[C@@H](NC(=O)C1CCCCCCC1)C(=O)O.
What is the InChIKey of (2R)-2-(cyclooctanecarbonylamino)hexanedioic acid?
The InChIKey is YMUHXBRGCHKENA-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H25NO5/c17-13(18)10-6-9-12(15(20)21)16-14(19)11-7-4-2-1-3-5-8-11/h11-12H,1-10H2,(H,16,19)(H,17,18)(H,20,21)/t12-/m1/s1.
What are the key properties of (2R)-2-(cyclooctanecarbonylamino)hexanedioic acid?
(2R)-2-(cyclooctanecarbonylamino)hexanedioic acid has a molecular weight of 299.37 g/mol, XLogP of 2.17, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(cyclooctanecarbonylamino)hexanedioic acid is sourced from PubChem (CID 107831603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).