cyclohexyl 5-amino-2-methylpent-2-enoate

C12H21NO2 — CID 67259044

IUPACcyclohexyl 5-amino-2-methylpent-2-enoate
SMILESCC(=CCCN)C(=O)OC1CCCCC1
InChIInChI=1S/C12H21NO2/c1-10(6-5-9-13)12(14)15-11-7-3-2-4-8-11/h6,11H,2-5,7-9,13H2,1H3
InChIKeyGVDZCMROCVYWAK-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.16
Rot. Bonds4

About cyclohexyl 5-amino-2-methylpent-2-enoate

cyclohexyl 5-amino-2-methylpent-2-enoate (PubChem CID 67259044) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is cyclohexyl 5-amino-2-methylpent-2-enoate.

Molecular Properties

Compound Namecyclohexyl 5-amino-2-methylpent-2-enoate
PubChem CID67259044
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Namecyclohexyl 5-amino-2-methylpent-2-enoate
SMILESCC(=CCCN)C(=O)OC1CCCCC1
InChIInChI=1S/C12H21NO2/c1-10(6-5-9-13)12(14)15-11-7-3-2-4-8-11/h6,11H,2-5,7-9,13H2,1H3
InChIKeyGVDZCMROCVYWAK-UHFFFAOYSA-N
XLogP2.16
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-cyclohexyloxy-4-methyl-5-oxopent-3-enoic acid
CID 174188795
cyclopentyl (Z)-2-methylbut-2-enoate
CID 70402433
methyl 5-amino-2-methylpent-2-enoate
CID 57069789
dicycloheptyl (Z)-2-methylbut-2-enedioate
CID 135353626
cyclohexyl 3-cyclohexyl-2-methylprop-2-enoate
CID 57027982
2-O-cycloheptyl 1-O-cyclooctyl oxalate
CID 57251206
cyclohexyl 3-dimethylsilyl-2-methylprop-2-enoate
CID 174714345
(4-methylcyclohexyl) 2-methylhept-2-enoate
CID 174863490
6-cyclopentyloxy-2-methyl-6-oxohex-2-enoic acid
CID 66772643
cyclohexyl 2-methylprop-2-enoate;2-methylprop-1-ene
CID 174922373
4-cyclohexylpent-3-en-1-amine
CID 76996947
cyclohexyl 2-hydroxybut-2-enoate
CID 141455466

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 5-amino-2-methylpent-2-enoate?
The IUPAC name of cyclohexyl 5-amino-2-methylpent-2-enoate (CID 67259044) is cyclohexyl 5-amino-2-methylpent-2-enoate.
What is the SMILES notation for cyclohexyl 5-amino-2-methylpent-2-enoate?
The canonical SMILES for cyclohexyl 5-amino-2-methylpent-2-enoate is CC(=CCCN)C(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 5-amino-2-methylpent-2-enoate?
The InChIKey is GVDZCMROCVYWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-10(6-5-9-13)12(14)15-11-7-3-2-4-8-11/h6,11H,2-5,7-9,13H2,1H3.
What are the key properties of cyclohexyl 5-amino-2-methylpent-2-enoate?
cyclohexyl 5-amino-2-methylpent-2-enoate has a molecular weight of 211.30 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 5-amino-2-methylpent-2-enoate is sourced from PubChem (CID 67259044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).