methyl 2-[[(1R)-cyclohex-3-ene-1-carbonyl]-cyclopentylamino]acetate

C15H23NO3 — CID 97062584

IUPACmethyl 2-[[(1R)-cyclohex-3-ene-1-carbonyl]-cyclopentylamino]acetate
SMILESCOC(=O)CN(C(=O)[C@H]1CC=CCC1)C1CCCC1
InChIInChI=1S/C15H23NO3/c1-19-14(17)11-16(13-9-5-6-10-13)15(18)12-7-3-2-4-8-12/h2-3,12-13H,4-11H2,1H3/t12-/m0/s1
InChIKeyGJEIGGNCPUDGJN-LBPRGKRZSA-N
MW265.35 g/mol
LogP2.29
Rot. Bonds4

About methyl 2-[[(1R)-cyclohex-3-ene-1-carbonyl]-cyclopentylamino]acetate

methyl 2-[[(1R)-cyclohex-3-ene-1-carbonyl]-cyclopentylamino]acetate (PubChem CID 97062584) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is methyl 2-[[(1R)-cyclohex-3-ene-1-carbonyl]-cyclopentylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[(1R)-cyclohex-3-ene-1-carbonyl]-cyclopentylamino]acetate
PubChem CID97062584
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Namemethyl 2-[[(1R)-cyclohex-3-ene-1-carbonyl]-cyclopentylamino]acetate
SMILESCOC(=O)CN(C(=O)[C@H]1CC=CCC1)C1CCCC1
InChIInChI=1S/C15H23NO3/c1-19-14(17)11-16(13-9-5-6-10-13)15(18)12-7-3-2-4-8-12/h2-3,12-13H,4-11H2,1H3/t12-/m0/s1
InChIKeyGJEIGGNCPUDGJN-LBPRGKRZSA-N
XLogP2.29
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-N-ethylcyclohex-3-ene-1-carboxamide
CID 86926977
methyl 2-[cyclopentyl-(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]acetate
CID 80709783
methyl 2-[acetyl(cyclopentyl)amino]acetate
CID 80709615
methyl 2-[[(1S)-cyclohex-3-ene-1-carbonyl]-[(3,5-dimethoxyphenyl)methyl]amino]acetate
CID 94823719
methyl 3-[cyclopentyl(cyclopropanecarbonyl)amino]propanoate
CID 48865248
2-[cyclohex-3-ene-1-carbonyl(methyl)amino]acetic acid
CID 24696987
N,N-bis(2-methoxyethyl)cyclohex-3-ene-1-carboxamide
CID 86911262
N-piperidin-4-yl-N-propylcyclohex-3-ene-1-carboxamide
CID 60805911
methyl 2-[cyclopentyl(piperidine-1-carbonyl)amino]acetate
CID 113330694
methyl 2-[1-(cyclohex-3-ene-1-carbonyl)piperidin-2-yl]acetate
CID 54899857
2-[cyclohex-3-ene-1-carbonyl(ethyl)amino]acetic acid
CID 61021350
methyl 2-[cyclopentyl(phenylcarbamoyl)amino]acetate
CID 115536075

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(1R)-cyclohex-3-ene-1-carbonyl]-cyclopentylamino]acetate?
The IUPAC name of methyl 2-[[(1R)-cyclohex-3-ene-1-carbonyl]-cyclopentylamino]acetate (CID 97062584) is methyl 2-[[(1R)-cyclohex-3-ene-1-carbonyl]-cyclopentylamino]acetate.
What is the SMILES notation for methyl 2-[[(1R)-cyclohex-3-ene-1-carbonyl]-cyclopentylamino]acetate?
The canonical SMILES for methyl 2-[[(1R)-cyclohex-3-ene-1-carbonyl]-cyclopentylamino]acetate is COC(=O)CN(C(=O)[C@H]1CC=CCC1)C1CCCC1.
What is the InChIKey of methyl 2-[[(1R)-cyclohex-3-ene-1-carbonyl]-cyclopentylamino]acetate?
The InChIKey is GJEIGGNCPUDGJN-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23NO3/c1-19-14(17)11-16(13-9-5-6-10-13)15(18)12-7-3-2-4-8-12/h2-3,12-13H,4-11H2,1H3/t12-/m0/s1.
What are the key properties of methyl 2-[[(1R)-cyclohex-3-ene-1-carbonyl]-cyclopentylamino]acetate?
methyl 2-[[(1R)-cyclohex-3-ene-1-carbonyl]-cyclopentylamino]acetate has a molecular weight of 265.35 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(1R)-cyclohex-3-ene-1-carbonyl]-cyclopentylamino]acetate is sourced from PubChem (CID 97062584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).