3-[methyl-[(4-oxo-2,3-dihydrochromen-8-yl)carbamoyl]amino]propanoic acid

C14H16N2O5 — CID 122089176

IUPAC3-[methyl-[(4-oxo-2,3-dihydrochromen-8-yl)carbamoyl]amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)Nc1cccc2c1OCCC2=O
InChIInChI=1S/C14H16N2O5/c1-16(7-5-12(18)19)14(20)15-10-4-2-3-9-11(17)6-8-21-13(9)10/h2-4H,5-8H2,1H3,(H,15,20)(H,18,19)
InChIKeyRXAXRWTXYRSFRT-UHFFFAOYSA-N
MW292.29 g/mol
LogP1.59
Rot. Bonds4

About 3-[methyl-[(4-oxo-2,3-dihydrochromen-8-yl)carbamoyl]amino]propanoic acid

3-[methyl-[(4-oxo-2,3-dihydrochromen-8-yl)carbamoyl]amino]propanoic acid (PubChem CID 122089176) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is 3-[methyl-[(4-oxo-2,3-dihydrochromen-8-yl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-[(4-oxo-2,3-dihydrochromen-8-yl)carbamoyl]amino]propanoic acid
PubChem CID122089176
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name3-[methyl-[(4-oxo-2,3-dihydrochromen-8-yl)carbamoyl]amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)Nc1cccc2c1OCCC2=O
InChIInChI=1S/C14H16N2O5/c1-16(7-5-12(18)19)14(20)15-10-4-2-3-9-11(17)6-8-21-13(9)10/h2-4H,5-8H2,1H3,(H,15,20)(H,18,19)
InChIKeyRXAXRWTXYRSFRT-UHFFFAOYSA-N
XLogP1.59
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl-[(1-oxo-2,3-dihydroinden-5-yl)carbamoyl]amino]propanoic acid
CID 122094560
3-[(3-chloro-2-methylphenyl)carbamoyl-methylamino]propanoic acid
CID 61182598
methyl 4-oxo-2,3-dihydrochromene-8-carboxylate
CID 122362508
3-[2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl(methyl)amino]propanoic acid
CID 61185392
3-[methyl-[(6-methyl-1,3-benzodioxol-5-yl)carbamoyl]amino]propanoic acid
CID 122089234
3-[methyl-[[2-[(2-methylpropan-2-yl)oxy]phenyl]carbamoyl]amino]propanoic acid
CID 122084828
3-[(6-chloro-1,3-benzodioxol-5-yl)carbamoyl-methylamino]propanoic acid
CID 122075057
3-[(4-chloro-3-fluoro-2-morpholin-4-ylphenyl)carbamoyl-methylamino]propanoic acid
CID 122092989
2-[(3-chloro-2-fluorophenyl)carbamoyl-methylamino]acetic acid
CID 43135927
2-[(3-bromo-2-methylphenyl)carbamoyl-methylamino]acetic acid
CID 107627390
3-[(2,5-dimethylphenyl)carbamoyl-methylamino]propanoic acid
CID 61200119
3-[methyl-[(3-pyrrolidin-1-ylphenyl)carbamoyl]amino]propanoic acid
CID 122078062

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(4-oxo-2,3-dihydrochromen-8-yl)carbamoyl]amino]propanoic acid?
The IUPAC name of 3-[methyl-[(4-oxo-2,3-dihydrochromen-8-yl)carbamoyl]amino]propanoic acid (CID 122089176) is 3-[methyl-[(4-oxo-2,3-dihydrochromen-8-yl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[methyl-[(4-oxo-2,3-dihydrochromen-8-yl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[methyl-[(4-oxo-2,3-dihydrochromen-8-yl)carbamoyl]amino]propanoic acid is CN(CCC(=O)O)C(=O)Nc1cccc2c1OCCC2=O.
What is the InChIKey of 3-[methyl-[(4-oxo-2,3-dihydrochromen-8-yl)carbamoyl]amino]propanoic acid?
The InChIKey is RXAXRWTXYRSFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c1-16(7-5-12(18)19)14(20)15-10-4-2-3-9-11(17)6-8-21-13(9)10/h2-4H,5-8H2,1H3,(H,15,20)(H,18,19).
What are the key properties of 3-[methyl-[(4-oxo-2,3-dihydrochromen-8-yl)carbamoyl]amino]propanoic acid?
3-[methyl-[(4-oxo-2,3-dihydrochromen-8-yl)carbamoyl]amino]propanoic acid has a molecular weight of 292.29 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(4-oxo-2,3-dihydrochromen-8-yl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 122089176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).