2-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)propanoic acid

C13H16N2O4 — CID 55063461

IUPAC2-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)propanoic acid
SMILESCC(NC(=O)NC1CCOc2ccccc21)C(=O)O
InChIInChI=1S/C13H16N2O4/c1-8(12(16)17)14-13(18)15-10-6-7-19-11-5-3-2-4-9(10)11/h2-5,8,10H,6-7H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyRLNRWBVTJKNRAB-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.28
Rot. Bonds3

About 2-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)propanoic acid

2-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)propanoic acid (PubChem CID 55063461) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)propanoic acid
PubChem CID55063461
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name2-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)propanoic acid
SMILESCC(NC(=O)NC1CCOc2ccccc21)C(=O)O
InChIInChI=1S/C13H16N2O4/c1-8(12(16)17)14-13(18)15-10-6-7-19-11-5-3-2-4-9(10)11/h2-5,8,10H,6-7H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyRLNRWBVTJKNRAB-UHFFFAOYSA-N
XLogP1.28
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)propanoic acid?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)propanoic acid (CID 55063461) is 2-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)propanoic acid.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)propanoic acid?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)propanoic acid is CC(NC(=O)NC1CCOc2ccccc21)C(=O)O.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)propanoic acid?
The InChIKey is RLNRWBVTJKNRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-8(12(16)17)14-13(18)15-10-6-7-19-11-5-3-2-4-9(10)11/h2-5,8,10H,6-7H2,1H3,(H,16,17)(H2,14,15,18).
What are the key properties of 2-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)propanoic acid?
2-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)propanoic acid has a molecular weight of 264.28 g/mol, XLogP of 1.28, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)propanoic acid is sourced from PubChem (CID 55063461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).