1-anilinocyclopropane-1-carboxylic acid

C10H11NO2 — CID 10845028

IUPAC1-anilinocyclopropane-1-carboxylic acid
SMILESO=C(O)C1(Nc2ccccc2)CC1
InChIInChI=1S/C10H11NO2/c12-9(13)10(6-7-10)11-8-4-2-1-3-5-8/h1-5,11H,6-7H2,(H,12,13)
InChIKeyPEQKOXWTSSMZHA-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.72
Rot. Bonds3

About 1-anilinocyclopropane-1-carboxylic acid

1-anilinocyclopropane-1-carboxylic acid (PubChem CID 10845028) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 1-anilinocyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-anilinocyclopropane-1-carboxylic acid
PubChem CID10845028
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name1-anilinocyclopropane-1-carboxylic acid
SMILESO=C(O)C1(Nc2ccccc2)CC1
InChIInChI=1S/C10H11NO2/c12-9(13)10(6-7-10)11-8-4-2-1-3-5-8/h1-5,11H,6-7H2,(H,12,13)
InChIKeyPEQKOXWTSSMZHA-UHFFFAOYSA-N
XLogP1.72
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Oxanilic acid
CID 10378
N-Phenylglycine
CID 66025
Succinanilic acid
CID 7598
2-(Phenylamino)propanoic acid
CID 2760357
2-(Phenylamino)butanoic acid
CID 266764
(4-Fluoroanilino)acetic acid
CID 1133296
(2-Fluoroanilino)acetic acid
CID 5171030
N-phenylvaline
CID 10867191
Sodium N-phenylglycine
CID 23670854
phenyl-Alanine
CID 817923
(2S)-2-(phenylazaniumyl)propanoate
CID 6946449
2-Methyl-N-phenylalanine
CID 12678866

Frequently Asked Questions

What is the IUPAC name of 1-anilinocyclopropane-1-carboxylic acid?
The IUPAC name of 1-anilinocyclopropane-1-carboxylic acid (CID 10845028) is 1-anilinocyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-anilinocyclopropane-1-carboxylic acid?
The canonical SMILES for 1-anilinocyclopropane-1-carboxylic acid is O=C(O)C1(Nc2ccccc2)CC1.
What is the InChIKey of 1-anilinocyclopropane-1-carboxylic acid?
The InChIKey is PEQKOXWTSSMZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c12-9(13)10(6-7-10)11-8-4-2-1-3-5-8/h1-5,11H,6-7H2,(H,12,13).
What are the key properties of 1-anilinocyclopropane-1-carboxylic acid?
1-anilinocyclopropane-1-carboxylic acid has a molecular weight of 177.20 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anilinocyclopropane-1-carboxylic acid is sourced from PubChem (CID 10845028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).