2-(cyclopropanecarbonylamino)-1,3-dihydroindene-2-carboxylic acid

C14H15NO3 — CID 75428971

IUPAC2-(cyclopropanecarbonylamino)-1,3-dihydroindene-2-carboxylic acid
SMILESO=C(NC1(C(=O)O)Cc2ccccc2C1)C1CC1
InChIInChI=1S/C14H15NO3/c16-12(9-5-6-9)15-14(13(17)18)7-10-3-1-2-4-11(10)8-14/h1-4,9H,5-8H2,(H,15,16)(H,17,18)
InChIKeyWNYKHCGKZSNXJN-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.13
Rot. Bonds3

About 2-(cyclopropanecarbonylamino)-1,3-dihydroindene-2-carboxylic acid

2-(cyclopropanecarbonylamino)-1,3-dihydroindene-2-carboxylic acid (PubChem CID 75428971) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-(cyclopropanecarbonylamino)-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-(cyclopropanecarbonylamino)-1,3-dihydroindene-2-carboxylic acid
PubChem CID75428971
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name2-(cyclopropanecarbonylamino)-1,3-dihydroindene-2-carboxylic acid
SMILESO=C(NC1(C(=O)O)Cc2ccccc2C1)C1CC1
InChIInChI=1S/C14H15NO3/c16-12(9-5-6-9)15-14(13(17)18)7-10-3-1-2-4-11(10)8-14/h1-4,9H,5-8H2,(H,15,16)(H,17,18)
InChIKeyWNYKHCGKZSNXJN-UHFFFAOYSA-N
XLogP1.13
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(bicyclo[2.2.1]heptane-2-carbonylamino)-1,3-dihydroindene-2-carboxylic acid
CID 59314259
2-(cyclopropylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 60795603
2-[(3,5-diphenylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid
CID 68553742
2-(cyclobutylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 115002582
1-(3,4-dihydro-2H-chromene-3-carbonylamino)cyclopropane-1-carboxylic acid
CID 65453008
2-[(6-cyclobutyloxy-5,6-dimethylcyclohexa-2,4-diene-1-carbonyl)amino]-1,3-dihydroindene-2-carboxylic acid
CID 163557389
2-(benzylamino)-1,3-dihydroindene-2-carboxylic acid
CID 60992148
2-[[2-(methylamino)-2-oxoethyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 114989844
2-[(2-cyclopentyl-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid
CID 25160673
1-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonylamino)cyclopropane-1-carboxylic acid
CID 66396875
2-(2-bromoanilino)-1,3-dihydroindene-2-carboxylic acid
CID 60993681
2-[2-[3-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119108646

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropanecarbonylamino)-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-(cyclopropanecarbonylamino)-1,3-dihydroindene-2-carboxylic acid (CID 75428971) is 2-(cyclopropanecarbonylamino)-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-(cyclopropanecarbonylamino)-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-(cyclopropanecarbonylamino)-1,3-dihydroindene-2-carboxylic acid is O=C(NC1(C(=O)O)Cc2ccccc2C1)C1CC1.
What is the InChIKey of 2-(cyclopropanecarbonylamino)-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is WNYKHCGKZSNXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c16-12(9-5-6-9)15-14(13(17)18)7-10-3-1-2-4-11(10)8-14/h1-4,9H,5-8H2,(H,15,16)(H,17,18).
What are the key properties of 2-(cyclopropanecarbonylamino)-1,3-dihydroindene-2-carboxylic acid?
2-(cyclopropanecarbonylamino)-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropanecarbonylamino)-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 75428971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).