2-[3-(propan-2-ylamino)phenyl]cyclopropane-1-carboxylic acid

C13H17NO2 — CID 174350674

IUPAC2-[3-(propan-2-ylamino)phenyl]cyclopropane-1-carboxylic acid
SMILESCC(C)Nc1cccc(C2CC2C(=O)O)c1
InChIInChI=1S/C13H17NO2/c1-8(2)14-10-5-3-4-9(6-10)11-7-12(11)13(15)16/h3-6,8,11-12,14H,7H2,1-2H3,(H,15,16)
InChIKeyUSOXCHJEFPBVDP-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.69
Rot. Bonds4

About 2-[3-(propan-2-ylamino)phenyl]cyclopropane-1-carboxylic acid

2-[3-(propan-2-ylamino)phenyl]cyclopropane-1-carboxylic acid (PubChem CID 174350674) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-[3-(propan-2-ylamino)phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[3-(propan-2-ylamino)phenyl]cyclopropane-1-carboxylic acid
PubChem CID174350674
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-[3-(propan-2-ylamino)phenyl]cyclopropane-1-carboxylic acid
SMILESCC(C)Nc1cccc(C2CC2C(=O)O)c1
InChIInChI=1S/C13H17NO2/c1-8(2)14-10-5-3-4-9(6-10)11-7-12(11)13(15)16/h3-6,8,11-12,14H,7H2,1-2H3,(H,15,16)
InChIKeyUSOXCHJEFPBVDP-UHFFFAOYSA-N
XLogP2.69
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(propan-2-ylamino)phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[3-(propan-2-ylamino)phenyl]cyclopropane-1-carboxylic acid (CID 174350674) is 2-[3-(propan-2-ylamino)phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[3-(propan-2-ylamino)phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[3-(propan-2-ylamino)phenyl]cyclopropane-1-carboxylic acid is CC(C)Nc1cccc(C2CC2C(=O)O)c1.
What is the InChIKey of 2-[3-(propan-2-ylamino)phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is USOXCHJEFPBVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-8(2)14-10-5-3-4-9(6-10)11-7-12(11)13(15)16/h3-6,8,11-12,14H,7H2,1-2H3,(H,15,16).
What are the key properties of 2-[3-(propan-2-ylamino)phenyl]cyclopropane-1-carboxylic acid?
2-[3-(propan-2-ylamino)phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 219.28 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(propan-2-ylamino)phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 174350674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).