methyl 2-[cyclopent-2-en-1-yl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxypropanoate

C14H23NO5 — CID 58921881

IUPACmethyl 2-[cyclopent-2-en-1-yl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxypropanoate
SMILESCOC(=O)C(CO)N(C(=O)OC(C)(C)C)C1C=CCC1
InChIInChI=1S/C14H23NO5/c1-14(2,3)20-13(18)15(10-7-5-6-8-10)11(9-16)12(17)19-4/h5,7,10-11,16H,6,8-9H2,1-4H3
InChIKeyGPXYCVMPUOIORU-UHFFFAOYSA-N
MW285.34 g/mol
LogP1.48
Rot. Bonds4

About methyl 2-[cyclopent-2-en-1-yl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxypropanoate

methyl 2-[cyclopent-2-en-1-yl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxypropanoate (PubChem CID 58921881) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is methyl 2-[cyclopent-2-en-1-yl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 2-[cyclopent-2-en-1-yl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxypropanoate
PubChem CID58921881
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Namemethyl 2-[cyclopent-2-en-1-yl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxypropanoate
SMILESCOC(=O)C(CO)N(C(=O)OC(C)(C)C)C1C=CCC1
InChIInChI=1S/C14H23NO5/c1-14(2,3)20-13(18)15(10-7-5-6-8-10)11(9-16)12(17)19-4/h5,7,10-11,16H,6,8-9H2,1-4H3
InChIKeyGPXYCVMPUOIORU-UHFFFAOYSA-N
XLogP1.48
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 2-[cyclopent-2-en-1-yl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxypropanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclopent-2-en-1-yl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxypropanoate?
The IUPAC name of methyl 2-[cyclopent-2-en-1-yl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxypropanoate (CID 58921881) is methyl 2-[cyclopent-2-en-1-yl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxypropanoate.
What is the SMILES notation for methyl 2-[cyclopent-2-en-1-yl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxypropanoate?
The canonical SMILES for methyl 2-[cyclopent-2-en-1-yl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxypropanoate is COC(=O)C(CO)N(C(=O)OC(C)(C)C)C1C=CCC1.
What is the InChIKey of methyl 2-[cyclopent-2-en-1-yl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxypropanoate?
The InChIKey is GPXYCVMPUOIORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5/c1-14(2,3)20-13(18)15(10-7-5-6-8-10)11(9-16)12(17)19-4/h5,7,10-11,16H,6,8-9H2,1-4H3.
What are the key properties of methyl 2-[cyclopent-2-en-1-yl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxypropanoate?
methyl 2-[cyclopent-2-en-1-yl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxypropanoate has a molecular weight of 285.34 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclopent-2-en-1-yl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxypropanoate is sourced from PubChem (CID 58921881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).