1-[[(4-oxochromene-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid

C15H13NO5 — CID 115449223

IUPAC1-[[(4-oxochromene-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CC1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C15H13NO5/c17-10-7-12(21-11-4-2-1-3-9(10)11)13(18)16-8-15(5-6-15)14(19)20/h1-4,7H,5-6,8H2,(H,16,18)(H,19,20)
InChIKeyJJBRRXYSEQFVID-UHFFFAOYSA-N
MW287.27 g/mol
LogP1.39
Rot. Bonds4

About 1-[[(4-oxochromene-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid

1-[[(4-oxochromene-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 115449223) has the molecular formula C15H13NO5 and a molecular weight of 287.27 g/mol. Its IUPAC name is 1-[[(4-oxochromene-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(4-oxochromene-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
PubChem CID115449223
Molecular FormulaC15H13NO5
Molecular Weight287.27 g/mol
Exact Mass287.08
IUPAC Name1-[[(4-oxochromene-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CC1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C15H13NO5/c17-10-7-12(21-11-4-2-1-3-9(10)11)13(18)16-8-15(5-6-15)14(19)20/h1-4,7H,5-6,8H2,(H,16,18)(H,19,20)
InChIKeyJJBRRXYSEQFVID-UHFFFAOYSA-N
XLogP1.39
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-4-oxochromene-2-carboxamide
CID 54880765
N-[(4,4-difluorocyclohexyl)methyl]-4-oxochromene-2-carboxamide
CID 139328053
2-methyl-3-[(4-oxochromene-2-carbonyl)amino]propanoic acid
CID 62675118
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-oxochromene-2-carboxamide
CID 71788780
N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-4-oxochromene-2-carboxamide
CID 95379433
N-butyl-4-oxochromene-2-carboxamide
CID 11253603
N-[[4-(dimethylamino)phenyl]methyl]-4-oxochromene-2-carboxamide
CID 17469485
N-[3-(ethylamino)propyl]-4-oxochromene-2-carboxamide
CID 43601604
N-(4-hydroxypentyl)-4-oxochromene-2-carboxamide
CID 107300405
N-(2-cyclopropyl-2-hydroxypropyl)-4-oxochromene-2-carboxamide
CID 90499300
4-oxo-N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]chromene-2-carboxamide
CID 16867578
4-oxo-N-[[2-(phenoxymethyl)phenyl]methyl]chromene-2-carboxamide
CID 17489399

Frequently Asked Questions

What is the IUPAC name of 1-[[(4-oxochromene-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[(4-oxochromene-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid (CID 115449223) is 1-[[(4-oxochromene-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[(4-oxochromene-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[(4-oxochromene-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid is O=C(NCC1(C(=O)O)CC1)c1cc(=O)c2ccccc2o1.
What is the InChIKey of 1-[[(4-oxochromene-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is JJBRRXYSEQFVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO5/c17-10-7-12(21-11-4-2-1-3-9(10)11)13(18)16-8-15(5-6-15)14(19)20/h1-4,7H,5-6,8H2,(H,16,18)(H,19,20).
What are the key properties of 1-[[(4-oxochromene-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
1-[[(4-oxochromene-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 287.27 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-oxochromene-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115449223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).