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

C7H11NO2 — CID 11412436

IUPACmethyl (1R,4S)-4-aminocyclopent-2-ene-1-carboxylate
SMILESCOC(=O)[C@H]1C=C[C@@H](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+/m0/s1
InChIKeyANVYHALMQXHQSG-NTSWFWBYSA-N
MW141.17 g/mol
LogP0.06
Rot. Bonds1

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

methyl (1R,4S)-4-aminocyclopent-2-ene-1-carboxylate (PubChem CID 11412436) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is methyl (1R,4S)-4-aminocyclopent-2-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R,4S)-4-aminocyclopent-2-ene-1-carboxylate
PubChem CID11412436
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Namemethyl (1R,4S)-4-aminocyclopent-2-ene-1-carboxylate
SMILESCOC(=O)[C@H]1C=C[C@@H](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+/m0/s1
InChIKeyANVYHALMQXHQSG-NTSWFWBYSA-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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Frequently Asked Questions

What is the IUPAC name of methyl (1R,4S)-4-aminocyclopent-2-ene-1-carboxylate?
The IUPAC name of methyl (1R,4S)-4-aminocyclopent-2-ene-1-carboxylate (CID 11412436) is methyl (1R,4S)-4-aminocyclopent-2-ene-1-carboxylate.
What is the SMILES notation for methyl (1R,4S)-4-aminocyclopent-2-ene-1-carboxylate?
The canonical SMILES for methyl (1R,4S)-4-aminocyclopent-2-ene-1-carboxylate is COC(=O)[C@H]1C=C[C@@H](N)C1.
What is the InChIKey of methyl (1R,4S)-4-aminocyclopent-2-ene-1-carboxylate?
The InChIKey is ANVYHALMQXHQSG-NTSWFWBYSA-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+/m0/s1.
What are the key properties of methyl (1R,4S)-4-aminocyclopent-2-ene-1-carboxylate?
methyl (1R,4S)-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 (1R,4S)-4-aminocyclopent-2-ene-1-carboxylate is sourced from PubChem (CID 11412436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).