pentyl 3-(cyclohexanecarbonylamino)propanoate

C15H27NO3 — CID 91722977

IUPACpentyl 3-(cyclohexanecarbonylamino)propanoate
SMILESCCCCCOC(=O)CCNC(=O)C1CCCCC1
InChIInChI=1S/C15H27NO3/c1-2-3-7-12-19-14(17)10-11-16-15(18)13-8-5-4-6-9-13/h13H,2-12H2,1H3,(H,16,18)
InChIKeyVZQAAACBNFTVGM-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.81
Rot. Bonds8

About pentyl 3-(cyclohexanecarbonylamino)propanoate

pentyl 3-(cyclohexanecarbonylamino)propanoate (PubChem CID 91722977) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is pentyl 3-(cyclohexanecarbonylamino)propanoate.

Molecular Properties

Compound Namepentyl 3-(cyclohexanecarbonylamino)propanoate
PubChem CID91722977
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Namepentyl 3-(cyclohexanecarbonylamino)propanoate
SMILESCCCCCOC(=O)CCNC(=O)C1CCCCC1
InChIInChI=1S/C15H27NO3/c1-2-3-7-12-19-14(17)10-11-16-15(18)13-8-5-4-6-9-13/h13H,2-12H2,1H3,(H,16,18)
InChIKeyVZQAAACBNFTVGM-UHFFFAOYSA-N
XLogP2.81
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pentyl 3-(cyclohexanecarbonylamino)propanoate?
The IUPAC name of pentyl 3-(cyclohexanecarbonylamino)propanoate (CID 91722977) is pentyl 3-(cyclohexanecarbonylamino)propanoate.
What is the SMILES notation for pentyl 3-(cyclohexanecarbonylamino)propanoate?
The canonical SMILES for pentyl 3-(cyclohexanecarbonylamino)propanoate is CCCCCOC(=O)CCNC(=O)C1CCCCC1.
What is the InChIKey of pentyl 3-(cyclohexanecarbonylamino)propanoate?
The InChIKey is VZQAAACBNFTVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-2-3-7-12-19-14(17)10-11-16-15(18)13-8-5-4-6-9-13/h13H,2-12H2,1H3,(H,16,18).
What are the key properties of pentyl 3-(cyclohexanecarbonylamino)propanoate?
pentyl 3-(cyclohexanecarbonylamino)propanoate has a molecular weight of 269.38 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl 3-(cyclohexanecarbonylamino)propanoate is sourced from PubChem (CID 91722977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).