3-[(4R)-4-amino-3,4-dihydro-2H-chromen-6-yl]propanoic acid

C12H15NO3 — CID 165354380

IUPAC3-[(4R)-4-amino-3,4-dihydro-2H-chromen-6-yl]propanoic acid
SMILESN[C@@H]1CCOc2ccc(CCC(=O)O)cc21
InChIInChI=1S/C12H15NO3/c13-10-5-6-16-11-3-1-8(7-9(10)11)2-4-12(14)15/h1,3,7,10H,2,4-6,13H2,(H,14,15)/t10-/m1/s1
InChIKeyCBLFEGKKSWCDGQ-SNVBAGLBSA-N
MW221.26 g/mol
LogP1.49
Rot. Bonds3

About 3-[(4R)-4-amino-3,4-dihydro-2H-chromen-6-yl]propanoic acid

3-[(4R)-4-amino-3,4-dihydro-2H-chromen-6-yl]propanoic acid (PubChem CID 165354380) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-[(4R)-4-amino-3,4-dihydro-2H-chromen-6-yl]propanoic acid.

Molecular Properties

Compound Name3-[(4R)-4-amino-3,4-dihydro-2H-chromen-6-yl]propanoic acid
PubChem CID165354380
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name3-[(4R)-4-amino-3,4-dihydro-2H-chromen-6-yl]propanoic acid
SMILESN[C@@H]1CCOc2ccc(CCC(=O)O)cc21
InChIInChI=1S/C12H15NO3/c13-10-5-6-16-11-3-1-8(7-9(10)11)2-4-12(14)15/h1,3,7,10H,2,4-6,13H2,(H,14,15)/t10-/m1/s1
InChIKeyCBLFEGKKSWCDGQ-SNVBAGLBSA-N
XLogP1.49
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4R)-4-amino-3,4-dihydro-2H-chromen-6-yl]propanoic acid?
The IUPAC name of 3-[(4R)-4-amino-3,4-dihydro-2H-chromen-6-yl]propanoic acid (CID 165354380) is 3-[(4R)-4-amino-3,4-dihydro-2H-chromen-6-yl]propanoic acid.
What is the SMILES notation for 3-[(4R)-4-amino-3,4-dihydro-2H-chromen-6-yl]propanoic acid?
The canonical SMILES for 3-[(4R)-4-amino-3,4-dihydro-2H-chromen-6-yl]propanoic acid is N[C@@H]1CCOc2ccc(CCC(=O)O)cc21.
What is the InChIKey of 3-[(4R)-4-amino-3,4-dihydro-2H-chromen-6-yl]propanoic acid?
The InChIKey is CBLFEGKKSWCDGQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H15NO3/c13-10-5-6-16-11-3-1-8(7-9(10)11)2-4-12(14)15/h1,3,7,10H,2,4-6,13H2,(H,14,15)/t10-/m1/s1.
What are the key properties of 3-[(4R)-4-amino-3,4-dihydro-2H-chromen-6-yl]propanoic acid?
3-[(4R)-4-amino-3,4-dihydro-2H-chromen-6-yl]propanoic acid has a molecular weight of 221.26 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R)-4-amino-3,4-dihydro-2H-chromen-6-yl]propanoic acid is sourced from PubChem (CID 165354380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).