cyclopentyl (2R)-2-(cyclohexanecarbonylamino)propanoate

C15H25NO3 — CID 171347072

IUPACcyclopentyl (2R)-2-(cyclohexanecarbonylamino)propanoate
SMILESC[C@@H](NC(=O)C1CCCCC1)C(=O)OC1CCCC1
InChIInChI=1S/C15H25NO3/c1-11(15(18)19-13-9-5-6-10-13)16-14(17)12-7-3-2-4-8-12/h11-13H,2-10H2,1H3,(H,16,17)/t11-/m1/s1
InChIKeyLTPQKDOFNMMSIJ-LLVKDONJSA-N
MW267.37 g/mol
LogP2.56
Rot. Bonds4

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

cyclopentyl (2R)-2-(cyclohexanecarbonylamino)propanoate (PubChem CID 171347072) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is cyclopentyl (2R)-2-(cyclohexanecarbonylamino)propanoate.

Molecular Properties

Compound Namecyclopentyl (2R)-2-(cyclohexanecarbonylamino)propanoate
PubChem CID171347072
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Namecyclopentyl (2R)-2-(cyclohexanecarbonylamino)propanoate
SMILESC[C@@H](NC(=O)C1CCCCC1)C(=O)OC1CCCC1
InChIInChI=1S/C15H25NO3/c1-11(15(18)19-13-9-5-6-10-13)16-14(17)12-7-3-2-4-8-12/h11-13H,2-10H2,1H3,(H,16,17)/t11-/m1/s1
InChIKeyLTPQKDOFNMMSIJ-LLVKDONJSA-N
XLogP2.56
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl (2R)-2-(cyclohexanecarbonylamino)propanoate?
The IUPAC name of cyclopentyl (2R)-2-(cyclohexanecarbonylamino)propanoate (CID 171347072) is cyclopentyl (2R)-2-(cyclohexanecarbonylamino)propanoate.
What is the SMILES notation for cyclopentyl (2R)-2-(cyclohexanecarbonylamino)propanoate?
The canonical SMILES for cyclopentyl (2R)-2-(cyclohexanecarbonylamino)propanoate is C[C@@H](NC(=O)C1CCCCC1)C(=O)OC1CCCC1.
What is the InChIKey of cyclopentyl (2R)-2-(cyclohexanecarbonylamino)propanoate?
The InChIKey is LTPQKDOFNMMSIJ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H25NO3/c1-11(15(18)19-13-9-5-6-10-13)16-14(17)12-7-3-2-4-8-12/h11-13H,2-10H2,1H3,(H,16,17)/t11-/m1/s1.
What are the key properties of cyclopentyl (2R)-2-(cyclohexanecarbonylamino)propanoate?
cyclopentyl (2R)-2-(cyclohexanecarbonylamino)propanoate has a molecular weight of 267.37 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl (2R)-2-(cyclohexanecarbonylamino)propanoate is sourced from PubChem (CID 171347072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).