[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] (1R)-cyclohex-3-ene-1-carboxylate

C17H26N2O4 — CID 7932412

IUPAC[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] (1R)-cyclohex-3-ene-1-carboxylate
SMILESC[C@H](OC(=O)[C@H]1CC=CCC1)C(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C17H26N2O4/c1-12(23-16(21)13-8-4-2-5-9-13)15(20)19-17(22)18-14-10-6-3-7-11-14/h2,4,12-14H,3,5-11H2,1H3,(H2,18,19,20,22)/t12-,13-/m0/s1
InChIKeyFGJVHTIQNJRWND-STQMWFEESA-N
MW322.40 g/mol
LogP2.43
Rot. Bonds4

About [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] (1R)-cyclohex-3-ene-1-carboxylate

[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] (1R)-cyclohex-3-ene-1-carboxylate (PubChem CID 7932412) has the molecular formula C17H26N2O4 and a molecular weight of 322.40 g/mol. Its IUPAC name is [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] (1R)-cyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Name[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] (1R)-cyclohex-3-ene-1-carboxylate
PubChem CID7932412
Molecular FormulaC17H26N2O4
Molecular Weight322.40 g/mol
Exact Mass322.19
IUPAC Name[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] (1R)-cyclohex-3-ene-1-carboxylate
SMILESC[C@H](OC(=O)[C@H]1CC=CCC1)C(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C17H26N2O4/c1-12(23-16(21)13-8-4-2-5-9-13)15(20)19-17(22)18-14-10-6-3-7-11-14/h2,4,12-14H,3,5-11H2,1H3,(H2,18,19,20,22)/t12-,13-/m0/s1
InChIKeyFGJVHTIQNJRWND-STQMWFEESA-N
XLogP2.43
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] (1R)-cyclohex-3-ene-1-carboxylate with MolForge

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Related Compounds

[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] cyclopropanecarboxylate
CID 7863511
cis-[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] (1S,2R)-2-methylcyclopropane-1-carboxylate
CID 11921069
[(2S)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl] (1R)-cyclohex-3-ene-1-carboxylate
CID 9487760
[(2S)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl] (1S)-cyclohex-3-ene-1-carboxylate
CID 9487762
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-methoxyacetate
CID 8018744
1-O-tert-butyl 4-O-[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] piperidine-1,4-dicarboxylate
CID 8924588
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]propanoate
CID 7572421
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-ethoxyacetate
CID 8709428
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2,3-dichlorobenzoate
CID 7722733
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]acetate
CID 11928545
[(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]propanoate
CID 8556444
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] (1S)-cyclohex-3-ene-1-carboxylate
CID 7932203

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] (1R)-cyclohex-3-ene-1-carboxylate?
The IUPAC name of [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] (1R)-cyclohex-3-ene-1-carboxylate (CID 7932412) is [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] (1R)-cyclohex-3-ene-1-carboxylate.
What is the SMILES notation for [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] (1R)-cyclohex-3-ene-1-carboxylate?
The canonical SMILES for [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] (1R)-cyclohex-3-ene-1-carboxylate is C[C@H](OC(=O)[C@H]1CC=CCC1)C(=O)NC(=O)NC1CCCCC1.
What is the InChIKey of [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] (1R)-cyclohex-3-ene-1-carboxylate?
The InChIKey is FGJVHTIQNJRWND-STQMWFEESA-N. The full InChI is InChI=1S/C17H26N2O4/c1-12(23-16(21)13-8-4-2-5-9-13)15(20)19-17(22)18-14-10-6-3-7-11-14/h2,4,12-14H,3,5-11H2,1H3,(H2,18,19,20,22)/t12-,13-/m0/s1.
What are the key properties of [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] (1R)-cyclohex-3-ene-1-carboxylate?
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] (1R)-cyclohex-3-ene-1-carboxylate has a molecular weight of 322.40 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] (1R)-cyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 7932412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).