1-[3-(3-aminoprop-1-enyl)phenyl]cyclopropane-1-carboxylic acid

C13H15NO2 — CID 169464255

IUPAC1-[3-(3-aminoprop-1-enyl)phenyl]cyclopropane-1-carboxylic acid
SMILESNCC=Cc1cccc(C2(C(=O)O)CC2)c1
InChIInChI=1S/C13H15NO2/c14-8-2-4-10-3-1-5-11(9-10)13(6-7-13)12(15)16/h1-5,9H,6-8,14H2,(H,15,16)
InChIKeyZNUHMJLGZIXFAE-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.77
Rot. Bonds4

About 1-[3-(3-aminoprop-1-enyl)phenyl]cyclopropane-1-carboxylic acid

1-[3-(3-aminoprop-1-enyl)phenyl]cyclopropane-1-carboxylic acid (PubChem CID 169464255) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-[3-(3-aminoprop-1-enyl)phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[3-(3-aminoprop-1-enyl)phenyl]cyclopropane-1-carboxylic acid
PubChem CID169464255
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name1-[3-(3-aminoprop-1-enyl)phenyl]cyclopropane-1-carboxylic acid
SMILESNCC=Cc1cccc(C2(C(=O)O)CC2)c1
InChIInChI=1S/C13H15NO2/c14-8-2-4-10-3-1-5-11(9-10)13(6-7-13)12(15)16/h1-5,9H,6-8,14H2,(H,15,16)
InChIKeyZNUHMJLGZIXFAE-UHFFFAOYSA-N
XLogP1.77
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(3-hydroxyprop-1-enyl)phenyl]cyclopropane-1-carboxylic acid
CID 169453995
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CID 169478055
1-[3-[4-(9H-fluoren-9-ylmethoxycarbonylamino)but-1-enyl]phenyl]cyclopropane-1-carboxylic acid
CID 170493030
1-[4-(4-amino-4-oxobut-1-enyl)phenyl]cyclopropane-1-carboxylic acid
CID 170798683
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1-[4-(3-carboxyprop-1-enyl)phenyl]cyclopropane-1-carboxylic acid
CID 170484314
3-(3-aminoprop-1-enyl)benzamide
CID 169463660
1-naphthalen-2-ylcyclopropane-1-carboxylic acid
CID 23568520
1-[3-(3-sulfanylprop-1-ynyl)phenyl]cyclopropane-1-carboxylic acid
CID 169487328
1-(3-isocyanophenyl)cyclopropane-1-carboxylic acid
CID 123520093
1-[3-(2-fluorophenyl)phenyl]cyclopropane-1-carboxylic acid
CID 83549721
1-[3-(2-chlorophenyl)phenyl]cyclopropane-1-carboxylic acid
CID 83557768

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-aminoprop-1-enyl)phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[3-(3-aminoprop-1-enyl)phenyl]cyclopropane-1-carboxylic acid (CID 169464255) is 1-[3-(3-aminoprop-1-enyl)phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[3-(3-aminoprop-1-enyl)phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[3-(3-aminoprop-1-enyl)phenyl]cyclopropane-1-carboxylic acid is NCC=Cc1cccc(C2(C(=O)O)CC2)c1.
What is the InChIKey of 1-[3-(3-aminoprop-1-enyl)phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is ZNUHMJLGZIXFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c14-8-2-4-10-3-1-5-11(9-10)13(6-7-13)12(15)16/h1-5,9H,6-8,14H2,(H,15,16).
What are the key properties of 1-[3-(3-aminoprop-1-enyl)phenyl]cyclopropane-1-carboxylic acid?
1-[3-(3-aminoprop-1-enyl)phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 217.27 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-aminoprop-1-enyl)phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 169464255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).