1-[4-(3-carboxyprop-1-enyl)phenyl]cyclopropane-1-carboxylic acid

C14H14O4 — CID 170484314

IUPAC1-[4-(3-carboxyprop-1-enyl)phenyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)CC=Cc1ccc(C2(C(=O)O)CC2)cc1
InChIInChI=1S/C14H14O4/c15-12(16)3-1-2-10-4-6-11(7-5-10)14(8-9-14)13(17)18/h1-2,4-7H,3,8-9H2,(H,15,16)(H,17,18)
InChIKeyFRFIVZKHPRZJLL-UHFFFAOYSA-N
MW246.26 g/mol
LogP2.29
Rot. Bonds5

About 1-[4-(3-carboxyprop-1-enyl)phenyl]cyclopropane-1-carboxylic acid

1-[4-(3-carboxyprop-1-enyl)phenyl]cyclopropane-1-carboxylic acid (PubChem CID 170484314) has the molecular formula C14H14O4 and a molecular weight of 246.26 g/mol. Its IUPAC name is 1-[4-(3-carboxyprop-1-enyl)phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-(3-carboxyprop-1-enyl)phenyl]cyclopropane-1-carboxylic acid
PubChem CID170484314
Molecular FormulaC14H14O4
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Name1-[4-(3-carboxyprop-1-enyl)phenyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)CC=Cc1ccc(C2(C(=O)O)CC2)cc1
InChIInChI=1S/C14H14O4/c15-12(16)3-1-2-10-4-6-11(7-5-10)14(8-9-14)13(17)18/h1-2,4-7H,3,8-9H2,(H,15,16)(H,17,18)
InChIKeyFRFIVZKHPRZJLL-UHFFFAOYSA-N
XLogP2.29
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4-amino-4-oxobut-1-enyl)phenyl]cyclopropane-1-carboxylic acid
CID 170798683
1-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]phenyl]cyclopropane-1-carboxylic acid
CID 169468275
1-[4-(4-fluorophenyl)but-3-enoyl]-4-phenylpiperidine-4-carboxylic acid
CID 154750479
(Z)-4-(4-methylphenyl)but-3-enoic acid
CID 94034249
4-[4-(hydroxymethyl)phenyl]but-3-enoic acid
CID 170483181
4-[4-(hydrazinecarbonyl)phenyl]but-3-enoic acid
CID 170483911
1-[3-(3-aminoprop-1-enyl)phenyl]cyclopropane-1-carboxylic acid
CID 169464255
1-[3-(3-hydroxyprop-1-enyl)phenyl]cyclopropane-1-carboxylic acid
CID 169453995
1-[3-(3-chloroprop-1-enyl)phenyl]cyclopropane-1-carboxylic acid
CID 169478055
1-(4-aminophenyl)cyclopropane-1-carboxylic acid;hydrochloride
CID 155970614
4-phenylbut-3-enoic acid;prop-2-enenitrile
CID 67360679
(E)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]but-3-enoic acid
CID 141496580

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-carboxyprop-1-enyl)phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[4-(3-carboxyprop-1-enyl)phenyl]cyclopropane-1-carboxylic acid (CID 170484314) is 1-[4-(3-carboxyprop-1-enyl)phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[4-(3-carboxyprop-1-enyl)phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[4-(3-carboxyprop-1-enyl)phenyl]cyclopropane-1-carboxylic acid is O=C(O)CC=Cc1ccc(C2(C(=O)O)CC2)cc1.
What is the InChIKey of 1-[4-(3-carboxyprop-1-enyl)phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is FRFIVZKHPRZJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4/c15-12(16)3-1-2-10-4-6-11(7-5-10)14(8-9-14)13(17)18/h1-2,4-7H,3,8-9H2,(H,15,16)(H,17,18).
What are the key properties of 1-[4-(3-carboxyprop-1-enyl)phenyl]cyclopropane-1-carboxylic acid?
1-[4-(3-carboxyprop-1-enyl)phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 246.26 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-carboxyprop-1-enyl)phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 170484314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).