methyl (1S)-4-aminocyclopent-2-ene-1-carboxylate

C7H11NO2 — CID 89349898

IUPACmethyl (1S)-4-aminocyclopent-2-ene-1-carboxylate
SMILESCOC(=O)[C@@H]1C=CC(N)C1
InChIInChI=1S/C7H11NO2/c1-10-7(9)5-2-3-6(8)4-5/h2-3,5-6H,4,8H2,1H3/t5-,6?/m1/s1
InChIKeyANVYHALMQXHQSG-LWOQYNTDSA-N
MW141.17 g/mol
LogP0.06
Rot. Bonds1

About methyl (1S)-4-aminocyclopent-2-ene-1-carboxylate

methyl (1S)-4-aminocyclopent-2-ene-1-carboxylate (PubChem CID 89349898) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is methyl (1S)-4-aminocyclopent-2-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl (1S)-4-aminocyclopent-2-ene-1-carboxylate
PubChem CID89349898
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Namemethyl (1S)-4-aminocyclopent-2-ene-1-carboxylate
SMILESCOC(=O)[C@@H]1C=CC(N)C1
InChIInChI=1S/C7H11NO2/c1-10-7(9)5-2-3-6(8)4-5/h2-3,5-6H,4,8H2,1H3/t5-,6?/m1/s1
InChIKeyANVYHALMQXHQSG-LWOQYNTDSA-N
XLogP0.06
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-aminocyclopent-2-ene-1-carboxylate;hydrochloride
CID 18538082
ethyl (1S,4R)-4-aminocyclopent-2-ene-1-carboxylate
CID 45090189
methyl 4-(chloroamino)cyclopent-2-ene-1-carboxylate
CID 89206851
ethyl 4-aminocyclopent-2-ene-1-carboxylate;hydrochloride
CID 23508762
(1S,4R)-2-azabicyclo[2.2.1]hept-5-en-3-one;methyl (1R,4S)-4-aminocyclopent-2-ene-1-carboxylate;hydrochloride
CID 159849973
methyl (4R)-4-methylcyclopent-2-ene-1-carboxylate
CID 134358359
methyl 4,5-dimethylcyclohex-2-ene-1-carboxylate
CID 58517086
4-amino-N-ethyl-N-methylcyclopent-2-ene-1-carboxamide
CID 79211003
4-amino-N-(1,1-dimethoxypropan-2-yl)cyclopent-2-ene-1-carboxamide
CID 79207526
2-propoxyethyl 4-aminocyclopent-2-ene-1-carboxylate
CID 79210072
dimethyl 6-methylcyclohex-4-ene-1,3-dicarboxylate
CID 58517083
4-amino-N-ethylcyclopent-2-ene-1-carboxamide
CID 79211546

Frequently Asked Questions

What is the IUPAC name of methyl (1S)-4-aminocyclopent-2-ene-1-carboxylate?
The IUPAC name of methyl (1S)-4-aminocyclopent-2-ene-1-carboxylate (CID 89349898) is methyl (1S)-4-aminocyclopent-2-ene-1-carboxylate.
What is the SMILES notation for methyl (1S)-4-aminocyclopent-2-ene-1-carboxylate?
The canonical SMILES for methyl (1S)-4-aminocyclopent-2-ene-1-carboxylate is COC(=O)[C@@H]1C=CC(N)C1.
What is the InChIKey of methyl (1S)-4-aminocyclopent-2-ene-1-carboxylate?
The InChIKey is ANVYHALMQXHQSG-LWOQYNTDSA-N. The full InChI is InChI=1S/C7H11NO2/c1-10-7(9)5-2-3-6(8)4-5/h2-3,5-6H,4,8H2,1H3/t5-,6?/m1/s1.
What are the key properties of methyl (1S)-4-aminocyclopent-2-ene-1-carboxylate?
methyl (1S)-4-aminocyclopent-2-ene-1-carboxylate has a molecular weight of 141.17 g/mol, XLogP of 0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S)-4-aminocyclopent-2-ene-1-carboxylate is sourced from PubChem (CID 89349898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).