(2R)-2-(cycloheptylcarbamoylamino)hexanedioic acid

C14H24N2O5 — CID 107838293

IUPAC(2R)-2-(cycloheptylcarbamoylamino)hexanedioic acid
SMILESO=C(O)CCC[C@@H](NC(=O)NC1CCCCCC1)C(=O)O
InChIInChI=1S/C14H24N2O5/c17-12(18)9-5-8-11(13(19)20)16-14(21)15-10-6-3-1-2-4-7-10/h10-11H,1-9H2,(H,17,18)(H,19,20)(H2,15,16,21)/t11-/m1/s1
InChIKeyKNSBKHBGKHJNDX-LLVKDONJSA-N
MW300.36 g/mol
LogP1.72
Rot. Bonds7

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

(2R)-2-(cycloheptylcarbamoylamino)hexanedioic acid (PubChem CID 107838293) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is (2R)-2-(cycloheptylcarbamoylamino)hexanedioic acid.

Molecular Properties

Compound Name(2R)-2-(cycloheptylcarbamoylamino)hexanedioic acid
PubChem CID107838293
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name(2R)-2-(cycloheptylcarbamoylamino)hexanedioic acid
SMILESO=C(O)CCC[C@@H](NC(=O)NC1CCCCCC1)C(=O)O
InChIInChI=1S/C14H24N2O5/c17-12(18)9-5-8-11(13(19)20)16-14(21)15-10-6-3-1-2-4-7-10/h10-11H,1-9H2,(H,17,18)(H,19,20)(H2,15,16,21)/t11-/m1/s1
InChIKeyKNSBKHBGKHJNDX-LLVKDONJSA-N
XLogP1.72
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(cycloheptylcarbamoylamino)-4-hydroxybutanoic acid
CID 114005381
(2R)-5-amino-2-(cyclooctylcarbamoylamino)-5-oxopentanoic acid
CID 107830466
(2R)-2-(cyclooctylcarbamoylamino)pentanoic acid
CID 107565953
5-(cyclobutylcarbamoylamino)hexanoic acid
CID 82848345
(2R)-2-(cyclooctanecarbonylamino)hexanedioic acid
CID 107831603
2-(cyclohexylcarbamoylamino)butanoic acid
CID 43469984
2-(cyclohexylcarbamoylamino)-4-methoxybutanoic acid
CID 62478798
2-(oxan-4-ylcarbamoylamino)pentanedioic acid
CID 61202775
(2S)-2-(piperidin-4-ylcarbamoylamino)pentanedioic acid
CID 61402901
(2R)-2-(dicyclopropylmethylcarbamoylamino)hexanedioic acid
CID 107839000
(2R)-2-(3-cyclohexylpropanoylamino)hexanedioic acid
CID 107831353
(2S)-2-(1-cyclohexylethylcarbamoylamino)pentanedioic acid
CID 62406533

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(cycloheptylcarbamoylamino)hexanedioic acid?
The IUPAC name of (2R)-2-(cycloheptylcarbamoylamino)hexanedioic acid (CID 107838293) is (2R)-2-(cycloheptylcarbamoylamino)hexanedioic acid.
What is the SMILES notation for (2R)-2-(cycloheptylcarbamoylamino)hexanedioic acid?
The canonical SMILES for (2R)-2-(cycloheptylcarbamoylamino)hexanedioic acid is O=C(O)CCC[C@@H](NC(=O)NC1CCCCCC1)C(=O)O.
What is the InChIKey of (2R)-2-(cycloheptylcarbamoylamino)hexanedioic acid?
The InChIKey is KNSBKHBGKHJNDX-LLVKDONJSA-N. The full InChI is InChI=1S/C14H24N2O5/c17-12(18)9-5-8-11(13(19)20)16-14(21)15-10-6-3-1-2-4-7-10/h10-11H,1-9H2,(H,17,18)(H,19,20)(H2,15,16,21)/t11-/m1/s1.
What are the key properties of (2R)-2-(cycloheptylcarbamoylamino)hexanedioic acid?
(2R)-2-(cycloheptylcarbamoylamino)hexanedioic acid has a molecular weight of 300.36 g/mol, XLogP of 1.72, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(cycloheptylcarbamoylamino)hexanedioic acid is sourced from PubChem (CID 107838293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).