cis-[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] (1S,2R)-2-methylcyclopropane-1-carboxylate

C15H24N2O4 — CID 11921069

About cis-[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] (1S,2R)-2-methylcyclopropane-1-carboxylate

cis-[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] (1S,2R)-2-methylcyclopropane-1-carboxylate (PubChem CID 11921069) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is cis-[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] (1S,2R)-2-methylcyclopropane-1-carboxylate.

Molecular Properties

• Compound Name: cis-[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] (1S,2R)-2-methylcyclopropane-1-carboxylate
• PubChem CID: 11921069
• Molecular Formula: C15H24N2O4
• Molecular Weight: 296.37 g/mol
• Exact Mass: 296.17
• IUPAC Name: cis-[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] (1S,2R)-2-methylcyclopropane-1-carboxylate
• SMILES: C[C@H](OC(=O)[C@H]1C[C@H]1C)C(=O)NC(=O)NC1CCCCC1
• InChI: InChI=1S/C15H24N2O4/c1-9-8-12(9)14(19)21-10(2)13(18)17-15(20)16-11-6-4-3-5-7-11/h9-12H,3-8H2,1-2H3,(H2,16,17,18,20)/t9-,10+,12+/m1/s1
• InChIKey: XFNKALCFBJVHAP-SCVCMEIPSA-N
• XLogP: 1.73
• TPSA: 84.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	296.37
LogP ≤ 5	1.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of cis-[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] (1S,2R)-2-methylcyclopropane-1-carboxylate?

The IUPAC name of cis-[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] (1S,2R)-2-methylcyclopropane-1-carboxylate (CID 11921069) is cis-[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] (1S,2R)-2-methylcyclopropane-1-carboxylate.

What is the SMILES notation for cis-[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] (1S,2R)-2-methylcyclopropane-1-carboxylate?

The canonical SMILES for cis-[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] (1S,2R)-2-methylcyclopropane-1-carboxylate is C[C@H](OC(=O)[C@H]1C[C@H]1C)C(=O)NC(=O)NC1CCCCC1.

What is the InChIKey of cis-[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] (1S,2R)-2-methylcyclopropane-1-carboxylate?

The InChIKey is XFNKALCFBJVHAP-SCVCMEIPSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-9-8-12(9)14(19)21-10(2)13(18)17-15(20)16-11-6-4-3-5-7-11/h9-12H,3-8H2,1-2H3,(H2,16,17,18,20)/t9-,10+,12+/m1/s1.

What are the key properties of cis-[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] (1S,2R)-2-methylcyclopropane-1-carboxylate?

cis-[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] (1S,2R)-2-methylcyclopropane-1-carboxylate has a molecular weight of 296.37 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for cis-[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] (1S,2R)-2-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 11921069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).