1-[[(Z)-but-2-enyl]amino]cyclopropane-1-carboxylic acid

C8H13NO2 — CID 45082142

IUPAC1-[[(Z)-but-2-enyl]amino]cyclopropane-1-carboxylic acid
SMILESC/C=C\CNC1(C(=O)O)CC1
InChIInChI=1S/C8H13NO2/c1-2-3-6-9-8(4-5-8)7(10)11/h2-3,9H,4-6H2,1H3,(H,10,11)/b3-2-
InChIKeyJYIDYTONZLLISF-IHWYPQMZSA-N
MW155.20 g/mol
LogP0.77
Rot. Bonds4

About 1-[[(Z)-but-2-enyl]amino]cyclopropane-1-carboxylic acid

1-[[(Z)-but-2-enyl]amino]cyclopropane-1-carboxylic acid (PubChem CID 45082142) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 1-[[(Z)-but-2-enyl]amino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(Z)-but-2-enyl]amino]cyclopropane-1-carboxylic acid
PubChem CID45082142
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name1-[[(Z)-but-2-enyl]amino]cyclopropane-1-carboxylic acid
SMILESC/C=C\CNC1(C(=O)O)CC1
InChIInChI=1S/C8H13NO2/c1-2-3-6-9-8(4-5-8)7(10)11/h2-3,9H,4-6H2,1H3,(H,10,11)/b3-2-
InChIKeyJYIDYTONZLLISF-IHWYPQMZSA-N
XLogP0.77
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.77
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

[1-[[(E)-but-2-enyl]amino]cyclobutyl]methanol
CID 107899292
1-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]cyclopropane-1-carboxylic acid
CID 151276822
(but-2-enylamino) acetate
CID 71411992
N-[(E)-but-2-enyl]-2-(1-methylcyclopropyl)acetamide
CID 178011558
N-[(E)-but-2-enyl]-1-methylcyclohexan-1-amine
CID 107898901
1-[3-(dimethylamino)propylamino]cyclopropane-1-carboxylic acid
CID 114525928
(E)-4-[[1-(hydroxymethyl)cyclopentyl]amino]but-2-enoic acid
CID 103249222
1-(5,5-dimethylhexanoylamino)cyclopropane-1-carboxylic acid
CID 115910145
1-(propylamino)cycloheptane-1-carboxylic acid
CID 43754029
1-but-2-enylcycloheptane-1-carboxylic acid
CID 79429503
1-but-2-enylcyclohexane-1-carboxylic acid
CID 112734325
N-[(E)-but-2-enyl]-3-methyl-1,1-dioxothiolan-3-amine
CID 103608632

Frequently Asked Questions

What is the IUPAC name of 1-[[(Z)-but-2-enyl]amino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[(Z)-but-2-enyl]amino]cyclopropane-1-carboxylic acid (CID 45082142) is 1-[[(Z)-but-2-enyl]amino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[(Z)-but-2-enyl]amino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[(Z)-but-2-enyl]amino]cyclopropane-1-carboxylic acid is C/C=C\CNC1(C(=O)O)CC1.
What is the InChIKey of 1-[[(Z)-but-2-enyl]amino]cyclopropane-1-carboxylic acid?
The InChIKey is JYIDYTONZLLISF-IHWYPQMZSA-N. The full InChI is InChI=1S/C8H13NO2/c1-2-3-6-9-8(4-5-8)7(10)11/h2-3,9H,4-6H2,1H3,(H,10,11)/b3-2-.
What are the key properties of 1-[[(Z)-but-2-enyl]amino]cyclopropane-1-carboxylic acid?
1-[[(Z)-but-2-enyl]amino]cyclopropane-1-carboxylic acid has a molecular weight of 155.20 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(Z)-but-2-enyl]amino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 45082142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).