2-[(1-methylcyclopentyl)oxycarbonylamino]ethyl 2-methylprop-2-enoate

C13H21NO4 — CID 118257839

IUPAC2-[(1-methylcyclopentyl)oxycarbonylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)OC1(C)CCCC1
InChIInChI=1S/C13H21NO4/c1-10(2)11(15)17-9-8-14-12(16)18-13(3)6-4-5-7-13/h1,4-9H2,2-3H3,(H,14,16)
InChIKeyYOABLDIRPXYXQC-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.16
Rot. Bonds5

About 2-[(1-methylcyclopentyl)oxycarbonylamino]ethyl 2-methylprop-2-enoate

2-[(1-methylcyclopentyl)oxycarbonylamino]ethyl 2-methylprop-2-enoate (PubChem CID 118257839) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 2-[(1-methylcyclopentyl)oxycarbonylamino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[(1-methylcyclopentyl)oxycarbonylamino]ethyl 2-methylprop-2-enoate
PubChem CID118257839
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name2-[(1-methylcyclopentyl)oxycarbonylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)OC1(C)CCCC1
InChIInChI=1S/C13H21NO4/c1-10(2)11(15)17-9-8-14-12(16)18-13(3)6-4-5-7-13/h1,4-9H2,2-3H3,(H,14,16)
InChIKeyYOABLDIRPXYXQC-UHFFFAOYSA-N
XLogP2.16
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[(1-cyclopentylcyclohexyl)oxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 118257882
(1-methylcyclohexyl) N-[2-[(1-methylcyclohexyl)oxycarbonylamino]ethyl]carbamate
CID 59584170
2-(methoxycarbonylamino)ethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
CID 158290359
3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propanoic acid
CID 88965929
2-[2-(propanoylamino)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 167060925
2-(carbonochloridoylamino)ethyl 2-methylprop-2-enoate
CID 18000331
2-(2-formyloxyethoxycarbonylamino)ethyl 2-methylprop-2-enoate
CID 89172590
2-(2,2-dimethylpropanoylamino)ethyl 2-methylprop-2-enoate
CID 90228448
2-[(methoxycarbonylamino)carbamoylamino]ethyl 2-methylprop-2-enoate
CID 166799947
2-[[(3aR,6R,6aR)-6-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 90287202
2-[[(3R,3aR,6R,6aR)-6-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 70169084
2-[(4-methylcyclohexyl)methoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 126547486

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylcyclopentyl)oxycarbonylamino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[(1-methylcyclopentyl)oxycarbonylamino]ethyl 2-methylprop-2-enoate (CID 118257839) is 2-[(1-methylcyclopentyl)oxycarbonylamino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[(1-methylcyclopentyl)oxycarbonylamino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[(1-methylcyclopentyl)oxycarbonylamino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNC(=O)OC1(C)CCCC1.
What is the InChIKey of 2-[(1-methylcyclopentyl)oxycarbonylamino]ethyl 2-methylprop-2-enoate?
The InChIKey is YOABLDIRPXYXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-10(2)11(15)17-9-8-14-12(16)18-13(3)6-4-5-7-13/h1,4-9H2,2-3H3,(H,14,16).
What are the key properties of 2-[(1-methylcyclopentyl)oxycarbonylamino]ethyl 2-methylprop-2-enoate?
2-[(1-methylcyclopentyl)oxycarbonylamino]ethyl 2-methylprop-2-enoate has a molecular weight of 255.31 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylcyclopentyl)oxycarbonylamino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 118257839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).