2-[4-[(1-aminocyclopropyl)methoxy]phenyl]acetic acid

C12H15NO3 — CID 117094923

IUPAC2-[4-[(1-aminocyclopropyl)methoxy]phenyl]acetic acid
SMILESNC1(COc2ccc(CC(=O)O)cc2)CC1
InChIInChI=1S/C12H15NO3/c13-12(5-6-12)8-16-10-3-1-9(2-4-10)7-11(14)15/h1-4H,5-8,13H2,(H,14,15)
InChIKeyZBVMVXOYRYCBNR-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.18
Rot. Bonds5

About 2-[4-[(1-aminocyclopropyl)methoxy]phenyl]acetic acid

2-[4-[(1-aminocyclopropyl)methoxy]phenyl]acetic acid (PubChem CID 117094923) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-[4-[(1-aminocyclopropyl)methoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(1-aminocyclopropyl)methoxy]phenyl]acetic acid
PubChem CID117094923
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-[4-[(1-aminocyclopropyl)methoxy]phenyl]acetic acid
SMILESNC1(COc2ccc(CC(=O)O)cc2)CC1
InChIInChI=1S/C12H15NO3/c13-12(5-6-12)8-16-10-3-1-9(2-4-10)7-11(14)15/h1-4H,5-8,13H2,(H,14,15)
InChIKeyZBVMVXOYRYCBNR-UHFFFAOYSA-N
XLogP1.18
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-chloroethoxy)phenyl]acetic acid
CID 22615229
2-(4-hydroperoxyphenyl)acetic acid
CID 151534269
2-(4-carbamoyloxyphenyl)acetic acid
CID 54293995
2-[4-(4-ethoxyphenyl)phenyl]acetic acid
CID 1394503
2-[4-(1-methylcyclopentyl)oxyphenyl]acetic acid
CID 117045788
2-[4-(phenoxymethyl)phenyl]acetic acid
CID 12832053
2-[4-[3-(4-chlorophenoxy)propoxy]phenyl]acetic acid
CID 22761079
2-[4-(3-amino-2,2-dimethylpropoxy)phenyl]acetic acid
CID 117094919
1-[(4-bromophenoxy)methyl]cyclobutan-1-amine
CID 84708806
2-[4-(2,2-difluoropropoxy)phenyl]acetic acid
CID 84693365
2-[4-(phenylmethoxymethoxy)phenyl]acetic acid
CID 102939339
methyl 2-[4-[[1-(aminomethyl)cyclobutyl]methoxy]phenyl]acetate
CID 117095002

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-aminocyclopropyl)methoxy]phenyl]acetic acid?
The IUPAC name of 2-[4-[(1-aminocyclopropyl)methoxy]phenyl]acetic acid (CID 117094923) is 2-[4-[(1-aminocyclopropyl)methoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(1-aminocyclopropyl)methoxy]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(1-aminocyclopropyl)methoxy]phenyl]acetic acid is NC1(COc2ccc(CC(=O)O)cc2)CC1.
What is the InChIKey of 2-[4-[(1-aminocyclopropyl)methoxy]phenyl]acetic acid?
The InChIKey is ZBVMVXOYRYCBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c13-12(5-6-12)8-16-10-3-1-9(2-4-10)7-11(14)15/h1-4H,5-8,13H2,(H,14,15).
What are the key properties of 2-[4-[(1-aminocyclopropyl)methoxy]phenyl]acetic acid?
2-[4-[(1-aminocyclopropyl)methoxy]phenyl]acetic acid has a molecular weight of 221.26 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-aminocyclopropyl)methoxy]phenyl]acetic acid is sourced from PubChem (CID 117094923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).