methyl 1-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]cyclohexane-1-carboxylate

C15H23NO3 — CID 94809325

IUPACmethyl 1-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)C[C@H]2C=CCC2)CCCCC1
InChIInChI=1S/C15H23NO3/c1-19-14(18)15(9-5-2-6-10-15)16-13(17)11-12-7-3-4-8-12/h3,7,12H,2,4-6,8-11H2,1H3,(H,16,17)/t12-/m0/s1
InChIKeyXYNFJVXXXVMYIB-LBPRGKRZSA-N
MW265.35 g/mol
LogP2.33
Rot. Bonds4

About methyl 1-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]cyclohexane-1-carboxylate

methyl 1-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]cyclohexane-1-carboxylate (PubChem CID 94809325) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is methyl 1-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]cyclohexane-1-carboxylate
PubChem CID94809325
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Namemethyl 1-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)C[C@H]2C=CCC2)CCCCC1
InChIInChI=1S/C15H23NO3/c1-19-14(18)15(9-5-2-6-10-15)16-13(17)11-12-7-3-4-8-12/h3,7,12H,2,4-6,8-11H2,1H3,(H,16,17)/t12-/m0/s1
InChIKeyXYNFJVXXXVMYIB-LBPRGKRZSA-N
XLogP2.33
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 1-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]cyclohexane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2-cyclopent-2-en-1-ylacetyl)amino]oxane-4-carboxylic acid
CID 113280127
2-cyclopent-2-en-1-yl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide
CID 62527351
methyl 2-[(2-cyclopent-2-en-1-ylacetyl)amino]-3-hydroxypropanoate
CID 43407202
methyl 4-[(2-cyclopent-2-en-1-ylacetyl)amino]piperidine-1-carboxylate
CID 47392515
methyl 1-[[2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]acetyl]amino]cyclohexane-1-carboxylate
CID 98354753
2-[(1R)-cyclopent-2-en-1-yl]-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]acetamide
CID 97258947
methyl (2S)-2-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-3,3-dimethylbutanoate
CID 95630238
methyl (2R)-2-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-3,3-dimethylbutanoate
CID 95630239
2-cyclopent-2-en-1-yl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
CID 103604609
methyl 2-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]acetate
CID 43407690
2-[(1S)-cyclopent-2-en-1-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 94028854
methyl 1-(4-aminobutanoylamino)cyclopentane-1-carboxylate;hydrochloride
CID 119279003

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]cyclohexane-1-carboxylate (CID 94809325) is methyl 1-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]cyclohexane-1-carboxylate is COC(=O)C1(NC(=O)C[C@H]2C=CCC2)CCCCC1.
What is the InChIKey of methyl 1-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]cyclohexane-1-carboxylate?
The InChIKey is XYNFJVXXXVMYIB-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23NO3/c1-19-14(18)15(9-5-2-6-10-15)16-13(17)11-12-7-3-4-8-12/h3,7,12H,2,4-6,8-11H2,1H3,(H,16,17)/t12-/m0/s1.
What are the key properties of methyl 1-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]cyclohexane-1-carboxylate?
methyl 1-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]cyclohexane-1-carboxylate has a molecular weight of 265.35 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 94809325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).