2-(2H-chromene-3-carbonylamino)-2-cyclopropylacetic acid

C15H15NO4 — CID 119213336

IUPAC2-(2H-chromene-3-carbonylamino)-2-cyclopropylacetic acid
SMILESO=C(NC(C(=O)O)C1CC1)C1=Cc2ccccc2OC1
InChIInChI=1S/C15H15NO4/c17-14(16-13(15(18)19)9-5-6-9)11-7-10-3-1-2-4-12(10)20-8-11/h1-4,7,9,13H,5-6,8H2,(H,16,17)(H,18,19)
InChIKeyMLAZXIXJJRXDCQ-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.44
Rot. Bonds4

About 2-(2H-chromene-3-carbonylamino)-2-cyclopropylacetic acid

2-(2H-chromene-3-carbonylamino)-2-cyclopropylacetic acid (PubChem CID 119213336) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-(2H-chromene-3-carbonylamino)-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-(2H-chromene-3-carbonylamino)-2-cyclopropylacetic acid
PubChem CID119213336
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name2-(2H-chromene-3-carbonylamino)-2-cyclopropylacetic acid
SMILESO=C(NC(C(=O)O)C1CC1)C1=Cc2ccccc2OC1
InChIInChI=1S/C15H15NO4/c17-14(16-13(15(18)19)9-5-6-9)11-7-10-3-1-2-4-12(10)20-8-11/h1-4,7,9,13H,5-6,8H2,(H,16,17)(H,18,19)
InChIKeyMLAZXIXJJRXDCQ-UHFFFAOYSA-N
XLogP1.44
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2H-chromene-3-carbonylamino)butanoic acid
CID 119220849
N-methyl-2H-chromene-3-carboxamide
CID 13029267
N-[phenyl(pyridin-4-yl)methyl]-2H-chromene-3-carboxamide
CID 86907598
N-cyclooctyl-2H-chromene-3-carboxamide
CID 22578430
N-cyclohexyl-2H-chromene-3-carboxamide
CID 9043314
(2R)-3-(2H-chromene-3-carbonylamino)-2-methylpropanoic acid
CID 124689247
N-(2-anilino-2-oxo-1-phenylethyl)-2H-chromene-3-carboxamide
CID 55779225
(2S)-2-benzamido-2-cyclopropylacetic acid
CID 94553117
methyl 2-(2H-chromene-3-carbonylamino)-3-methylbutanoate
CID 75856990
N-(4-acetamidophenyl)-2H-chromene-3-carboxamide
CID 7465016
N-[4-(2-methylpropanoylamino)phenyl]-2H-chromene-3-carboxamide
CID 26782775
N-(4-acetylphenyl)-2H-chromene-3-carboxamide
CID 9042646

Frequently Asked Questions

What is the IUPAC name of 2-(2H-chromene-3-carbonylamino)-2-cyclopropylacetic acid?
The IUPAC name of 2-(2H-chromene-3-carbonylamino)-2-cyclopropylacetic acid (CID 119213336) is 2-(2H-chromene-3-carbonylamino)-2-cyclopropylacetic acid.
What is the SMILES notation for 2-(2H-chromene-3-carbonylamino)-2-cyclopropylacetic acid?
The canonical SMILES for 2-(2H-chromene-3-carbonylamino)-2-cyclopropylacetic acid is O=C(NC(C(=O)O)C1CC1)C1=Cc2ccccc2OC1.
What is the InChIKey of 2-(2H-chromene-3-carbonylamino)-2-cyclopropylacetic acid?
The InChIKey is MLAZXIXJJRXDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c17-14(16-13(15(18)19)9-5-6-9)11-7-10-3-1-2-4-12(10)20-8-11/h1-4,7,9,13H,5-6,8H2,(H,16,17)(H,18,19).
What are the key properties of 2-(2H-chromene-3-carbonylamino)-2-cyclopropylacetic acid?
2-(2H-chromene-3-carbonylamino)-2-cyclopropylacetic acid has a molecular weight of 273.29 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-chromene-3-carbonylamino)-2-cyclopropylacetic acid is sourced from PubChem (CID 119213336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).