2-[3-[(2-cyclopropylcyclopropanecarbonyl)amino]phenyl]acetic acid

C15H17NO3 — CID 75482501

IUPAC2-[3-[(2-cyclopropylcyclopropanecarbonyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(NC(=O)C2CC2C2CC2)c1
InChIInChI=1S/C15H17NO3/c17-14(18)7-9-2-1-3-11(6-9)16-15(19)13-8-12(13)10-4-5-10/h1-3,6,10,12-13H,4-5,7-8H2,(H,16,19)(H,17,18)
InChIKeyMSAITIVKJCLANP-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.30
Rot. Bonds5

About 2-[3-[(2-cyclopropylcyclopropanecarbonyl)amino]phenyl]acetic acid

2-[3-[(2-cyclopropylcyclopropanecarbonyl)amino]phenyl]acetic acid (PubChem CID 75482501) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is 2-[3-[(2-cyclopropylcyclopropanecarbonyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[(2-cyclopropylcyclopropanecarbonyl)amino]phenyl]acetic acid
PubChem CID75482501
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name2-[3-[(2-cyclopropylcyclopropanecarbonyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(NC(=O)C2CC2C2CC2)c1
InChIInChI=1S/C15H17NO3/c17-14(18)7-9-2-1-3-11(6-9)16-15(19)13-8-12(13)10-4-5-10/h1-3,6,10,12-13H,4-5,7-8H2,(H,16,19)(H,17,18)
InChIKeyMSAITIVKJCLANP-UHFFFAOYSA-N
XLogP2.30
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-[(2-cyclohexylcyclopropanecarbonyl)amino]phenyl]acetic acid
CID 119351630
2-[3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonylamino)phenyl]acetic acid
CID 120530686
N-[3-[[[(1R,2S)-2-cyclopropylcyclopropanecarbonyl]amino]methyl]phenyl]cyclobutanecarboxamide
CID 97011516
2-[3-[(4-aminooxolane-3-carbonyl)amino]phenyl]acetic acid
CID 66237312
2-[3-[[2-(pyrrolidine-1-carbonyl)cyclohexanecarbonyl]amino]phenyl]acetic acid
CID 119351907
2-[3-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]phenyl]acetic acid
CID 103803780
2-[3-(piperidine-2-carbonylamino)phenyl]acetic acid
CID 65350284
2-[3-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]phenyl]acetic acid
CID 65346582
2-[3-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]phenyl]acetic acid
CID 119352029
2-[3-[(1-methylsulfonylpiperidine-3-carbonyl)amino]phenyl]acetic acid
CID 154750724
2-[3-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid
CID 65345497
2-[3-(cyclobutylmethylcarbamoylamino)phenyl]acetic acid
CID 65345766

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-cyclopropylcyclopropanecarbonyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[3-[(2-cyclopropylcyclopropanecarbonyl)amino]phenyl]acetic acid (CID 75482501) is 2-[3-[(2-cyclopropylcyclopropanecarbonyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[(2-cyclopropylcyclopropanecarbonyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[(2-cyclopropylcyclopropanecarbonyl)amino]phenyl]acetic acid is O=C(O)Cc1cccc(NC(=O)C2CC2C2CC2)c1.
What is the InChIKey of 2-[3-[(2-cyclopropylcyclopropanecarbonyl)amino]phenyl]acetic acid?
The InChIKey is MSAITIVKJCLANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c17-14(18)7-9-2-1-3-11(6-9)16-15(19)13-8-12(13)10-4-5-10/h1-3,6,10,12-13H,4-5,7-8H2,(H,16,19)(H,17,18).
What are the key properties of 2-[3-[(2-cyclopropylcyclopropanecarbonyl)amino]phenyl]acetic acid?
2-[3-[(2-cyclopropylcyclopropanecarbonyl)amino]phenyl]acetic acid has a molecular weight of 259.30 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-cyclopropylcyclopropanecarbonyl)amino]phenyl]acetic acid is sourced from PubChem (CID 75482501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).