cyclohexyl (2R)-2-(cyclohexanecarbonylamino)propanoate

C16H27NO3 — CID 171345032

IUPACcyclohexyl (2R)-2-(cyclohexanecarbonylamino)propanoate
SMILESC[C@@H](NC(=O)C1CCCCC1)C(=O)OC1CCCCC1
InChIInChI=1S/C16H27NO3/c1-12(16(19)20-14-10-6-3-7-11-14)17-15(18)13-8-4-2-5-9-13/h12-14H,2-11H2,1H3,(H,17,18)/t12-/m1/s1
InChIKeyFSEMCKJAAYJNNE-GFCCVEGCSA-N
MW281.40 g/mol
LogP2.95
Rot. Bonds4

About cyclohexyl (2R)-2-(cyclohexanecarbonylamino)propanoate

cyclohexyl (2R)-2-(cyclohexanecarbonylamino)propanoate (PubChem CID 171345032) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is cyclohexyl (2R)-2-(cyclohexanecarbonylamino)propanoate.

Molecular Properties

Compound Namecyclohexyl (2R)-2-(cyclohexanecarbonylamino)propanoate
PubChem CID171345032
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Namecyclohexyl (2R)-2-(cyclohexanecarbonylamino)propanoate
SMILESC[C@@H](NC(=O)C1CCCCC1)C(=O)OC1CCCCC1
InChIInChI=1S/C16H27NO3/c1-12(16(19)20-14-10-6-3-7-11-14)17-15(18)13-8-4-2-5-9-13/h12-14H,2-11H2,1H3,(H,17,18)/t12-/m1/s1
InChIKeyFSEMCKJAAYJNNE-GFCCVEGCSA-N
XLogP2.95
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl (2R)-2-(cyclohexanecarbonylamino)propanoate?
The IUPAC name of cyclohexyl (2R)-2-(cyclohexanecarbonylamino)propanoate (CID 171345032) is cyclohexyl (2R)-2-(cyclohexanecarbonylamino)propanoate.
What is the SMILES notation for cyclohexyl (2R)-2-(cyclohexanecarbonylamino)propanoate?
The canonical SMILES for cyclohexyl (2R)-2-(cyclohexanecarbonylamino)propanoate is C[C@@H](NC(=O)C1CCCCC1)C(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl (2R)-2-(cyclohexanecarbonylamino)propanoate?
The InChIKey is FSEMCKJAAYJNNE-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H27NO3/c1-12(16(19)20-14-10-6-3-7-11-14)17-15(18)13-8-4-2-5-9-13/h12-14H,2-11H2,1H3,(H,17,18)/t12-/m1/s1.
What are the key properties of cyclohexyl (2R)-2-(cyclohexanecarbonylamino)propanoate?
cyclohexyl (2R)-2-(cyclohexanecarbonylamino)propanoate has a molecular weight of 281.40 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl (2R)-2-(cyclohexanecarbonylamino)propanoate is sourced from PubChem (CID 171345032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).