1-amino-3-ethylidenecyclobutane-1-carboxylic acid

C7H11NO2 — CID 163925768

IUPAC1-amino-3-ethylidenecyclobutane-1-carboxylic acid
SMILESCC=C1CC(N)(C(=O)O)C1
InChIInChI=1S/C7H11NO2/c1-2-5-3-7(8,4-5)6(9)10/h2H,3-4,8H2,1H3,(H,9,10)/b5-2-
InChIKeyREICBLOQCHCQHY-DJWKRKHSSA-N
MW141.17 g/mol
LogP0.51
Rot. Bonds1

About 1-amino-3-ethylidenecyclobutane-1-carboxylic acid

1-amino-3-ethylidenecyclobutane-1-carboxylic acid (PubChem CID 163925768) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 1-amino-3-ethylidenecyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-3-ethylidenecyclobutane-1-carboxylic acid
PubChem CID163925768
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name1-amino-3-ethylidenecyclobutane-1-carboxylic acid
SMILESCC=C1CC(N)(C(=O)O)C1
InChIInChI=1S/C7H11NO2/c1-2-5-3-7(8,4-5)6(9)10/h2H,3-4,8H2,1H3,(H,9,10)/b5-2-
InChIKeyREICBLOQCHCQHY-DJWKRKHSSA-N
XLogP0.51
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 167739303
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1-amino-3-(2-phosphonoethylidene)cyclobutane-1-carboxylic acid
CID 10353437
2-amino-4,7-difluoro-1,3-dihydroindene-2-carboxylic acid
CID 141221671
1-aminocyclopropane-1-carboxylic acid;hydrate
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1-aminocyclopentane-1-carboxylic acid
CID 2901
1-amino-3-ethenylcyclopent-3-ene-1-carboxylic acid
CID 67633079
3-amino-5-oxopyrrolidine-3-carboxylic acid
CID 162691228
1-aminocyclohenicosane-1-carboxylic acid
CID 101359672
1-aminocyclotridecane-1-carboxylic acid
CID 53441426
1-aminocyclobutane-1-carboxylic acid;1-aminocyclopropane-1-carboxylic acid
CID 71060763
4-aminocyclopentane-1,2,4-tricarboxylic acid
CID 4302961

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-ethylidenecyclobutane-1-carboxylic acid?
The IUPAC name of 1-amino-3-ethylidenecyclobutane-1-carboxylic acid (CID 163925768) is 1-amino-3-ethylidenecyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-amino-3-ethylidenecyclobutane-1-carboxylic acid?
The canonical SMILES for 1-amino-3-ethylidenecyclobutane-1-carboxylic acid is CC=C1CC(N)(C(=O)O)C1.
What is the InChIKey of 1-amino-3-ethylidenecyclobutane-1-carboxylic acid?
The InChIKey is REICBLOQCHCQHY-DJWKRKHSSA-N. The full InChI is InChI=1S/C7H11NO2/c1-2-5-3-7(8,4-5)6(9)10/h2H,3-4,8H2,1H3,(H,9,10)/b5-2-.
What are the key properties of 1-amino-3-ethylidenecyclobutane-1-carboxylic acid?
1-amino-3-ethylidenecyclobutane-1-carboxylic acid has a molecular weight of 141.17 g/mol, XLogP of 0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-ethylidenecyclobutane-1-carboxylic acid is sourced from PubChem (CID 163925768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).