trans-(1S,2S)-2-[(E)-3-aminoprop-1-enyl]cyclopropane-1-carboxylic acid

C7H11NO2 — CID 55284867

IUPACtrans-(1S,2S)-2-[(E)-3-aminoprop-1-enyl]cyclopropane-1-carboxylic acid
SMILESNC/C=C/[C@@H]1C[C@@H]1C(=O)O
InChIInChI=1S/C7H11NO2/c8-3-1-2-5-4-6(5)7(9)10/h1-2,5-6H,3-4,8H2,(H,9,10)/b2-1+/t5-,6+/m1/s1
InChIKeyPYXXECJDZWSXKS-GONBATFASA-N
MW141.17 g/mol
LogP0.22
Rot. Bonds3

About trans-(1S,2S)-2-[(E)-3-aminoprop-1-enyl]cyclopropane-1-carboxylic acid

trans-(1S,2S)-2-[(E)-3-aminoprop-1-enyl]cyclopropane-1-carboxylic acid (PubChem CID 55284867) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is trans-(1S,2S)-2-[(E)-3-aminoprop-1-enyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[(E)-3-aminoprop-1-enyl]cyclopropane-1-carboxylic acid
PubChem CID55284867
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Nametrans-(1S,2S)-2-[(E)-3-aminoprop-1-enyl]cyclopropane-1-carboxylic acid
SMILESNC/C=C/[C@@H]1C[C@@H]1C(=O)O
InChIInChI=1S/C7H11NO2/c8-3-1-2-5-4-6(5)7(9)10/h1-2,5-6H,3-4,8H2,(H,9,10)/b2-1+/t5-,6+/m1/s1
InChIKeyPYXXECJDZWSXKS-GONBATFASA-N
XLogP0.22
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 trans-(1S,2S)-2-[(E)-3-aminoprop-1-enyl]cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1S,2S)-2-[(E)-3-aminoprop-1-enyl]cyclopropane-1-carboxylic acid (CID 55284867) is trans-(1S,2S)-2-[(E)-3-aminoprop-1-enyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1S,2S)-2-[(E)-3-aminoprop-1-enyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1S,2S)-2-[(E)-3-aminoprop-1-enyl]cyclopropane-1-carboxylic acid is NC/C=C/[C@@H]1C[C@@H]1C(=O)O.
What is the InChIKey of trans-(1S,2S)-2-[(E)-3-aminoprop-1-enyl]cyclopropane-1-carboxylic acid?
The InChIKey is PYXXECJDZWSXKS-GONBATFASA-N. The full InChI is InChI=1S/C7H11NO2/c8-3-1-2-5-4-6(5)7(9)10/h1-2,5-6H,3-4,8H2,(H,9,10)/b2-1+/t5-,6+/m1/s1.
What are the key properties of trans-(1S,2S)-2-[(E)-3-aminoprop-1-enyl]cyclopropane-1-carboxylic acid?
trans-(1S,2S)-2-[(E)-3-aminoprop-1-enyl]cyclopropane-1-carboxylic acid has a molecular weight of 141.17 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[(E)-3-aminoprop-1-enyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 55284867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).