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

C14H15NO4 — CID 119220849

IUPAC3-(2H-chromene-3-carbonylamino)butanoic acid
SMILESCC(CC(=O)O)NC(=O)C1=Cc2ccccc2OC1
InChIInChI=1S/C14H15NO4/c1-9(6-13(16)17)15-14(18)11-7-10-4-2-3-5-12(10)19-8-11/h2-5,7,9H,6,8H2,1H3,(H,15,18)(H,16,17)
InChIKeyXVXCRBBNOYUVMA-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.44
Rot. Bonds4

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

3-(2H-chromene-3-carbonylamino)butanoic acid (PubChem CID 119220849) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-(2H-chromene-3-carbonylamino)butanoic acid.

Molecular Properties

Compound Name3-(2H-chromene-3-carbonylamino)butanoic acid
PubChem CID119220849
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name3-(2H-chromene-3-carbonylamino)butanoic acid
SMILESCC(CC(=O)O)NC(=O)C1=Cc2ccccc2OC1
InChIInChI=1S/C14H15NO4/c1-9(6-13(16)17)15-14(18)11-7-10-4-2-3-5-12(10)19-8-11/h2-5,7,9H,6,8H2,1H3,(H,15,18)(H,16,17)
InChIKeyXVXCRBBNOYUVMA-UHFFFAOYSA-N
XLogP1.44
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(6-chloro-2H-chromene-3-carbonyl)amino]butanoic acid
CID 43242074
(2R)-3-(2H-chromene-3-carbonylamino)-2-methylpropanoic acid
CID 124689247
N-methyl-2H-chromene-3-carboxamide
CID 13029267
methyl 2-(2H-chromene-3-carbonylamino)-3-methylbutanoate
CID 75856990
2-(2H-chromene-3-carbonylamino)-2-cyclopropylacetic acid
CID 119213336
N-(3-hydroxybutyl)-2H-chromene-3-carboxamide
CID 111429331
N-[phenyl(pyridin-4-yl)methyl]-2H-chromene-3-carboxamide
CID 86907598
N-[4-(2-methylpropanoylamino)phenyl]-2H-chromene-3-carboxamide
CID 26782775
N-(3-hydroxy-2,2,4-trimethylpentyl)-2H-chromene-3-carboxamide
CID 109381132
N-(2-anilino-2-oxo-1-phenylethyl)-2H-chromene-3-carboxamide
CID 55779225
N-(4-hydroxy-2,2-dimethylpentyl)-2H-chromene-3-carboxamide
CID 111520105
N-[1-(1,3-benzoxazol-2-yl)ethyl]-2H-chromene-3-carboxamide
CID 110278878

Frequently Asked Questions

What is the IUPAC name of 3-(2H-chromene-3-carbonylamino)butanoic acid?
The IUPAC name of 3-(2H-chromene-3-carbonylamino)butanoic acid (CID 119220849) is 3-(2H-chromene-3-carbonylamino)butanoic acid.
What is the SMILES notation for 3-(2H-chromene-3-carbonylamino)butanoic acid?
The canonical SMILES for 3-(2H-chromene-3-carbonylamino)butanoic acid is CC(CC(=O)O)NC(=O)C1=Cc2ccccc2OC1.
What is the InChIKey of 3-(2H-chromene-3-carbonylamino)butanoic acid?
The InChIKey is XVXCRBBNOYUVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-9(6-13(16)17)15-14(18)11-7-10-4-2-3-5-12(10)19-8-11/h2-5,7,9H,6,8H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 3-(2H-chromene-3-carbonylamino)butanoic acid?
3-(2H-chromene-3-carbonylamino)butanoic acid has a molecular weight of 261.28 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 3-(2H-chromene-3-carbonylamino)butanoic acid is sourced from PubChem (CID 119220849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).