(2S)-2-amino-3-[(3S)-2,3-dihydro-1H-indol-3-yl]propanoic acid

C11H14N2O2 — CID 56844224

IUPAC(2S)-2-amino-3-[(3S)-2,3-dihydro-1H-indol-3-yl]propanoic acid
SMILESN[C@@H](C[C@@H]1CNc2ccccc21)C(=O)O
InChIInChI=1S/C11H14N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,7,9,13H,5-6,12H2,(H,14,15)/t7-,9+/m1/s1
InChIKeySPHNJDOWMOXSMT-APPZFPTMSA-N
MW206.25 g/mol
LogP1.00
Rot. Bonds3

About (2S)-2-amino-3-[(3S)-2,3-dihydro-1H-indol-3-yl]propanoic acid

(2S)-2-amino-3-[(3S)-2,3-dihydro-1H-indol-3-yl]propanoic acid (PubChem CID 56844224) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is (2S)-2-amino-3-[(3S)-2,3-dihydro-1H-indol-3-yl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[(3S)-2,3-dihydro-1H-indol-3-yl]propanoic acid
PubChem CID56844224
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name(2S)-2-amino-3-[(3S)-2,3-dihydro-1H-indol-3-yl]propanoic acid
SMILESN[C@@H](C[C@@H]1CNc2ccccc21)C(=O)O
InChIInChI=1S/C11H14N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,7,9,13H,5-6,12H2,(H,14,15)/t7-,9+/m1/s1
InChIKeySPHNJDOWMOXSMT-APPZFPTMSA-N
XLogP1.00
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[(3S)-2,3-dihydro-1H-indol-3-yl]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[(3S)-2,3-dihydro-1H-indol-3-yl]propanoic acid (CID 56844224) is (2S)-2-amino-3-[(3S)-2,3-dihydro-1H-indol-3-yl]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[(3S)-2,3-dihydro-1H-indol-3-yl]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[(3S)-2,3-dihydro-1H-indol-3-yl]propanoic acid is N[C@@H](C[C@@H]1CNc2ccccc21)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-[(3S)-2,3-dihydro-1H-indol-3-yl]propanoic acid?
The InChIKey is SPHNJDOWMOXSMT-APPZFPTMSA-N. The full InChI is InChI=1S/C11H14N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,7,9,13H,5-6,12H2,(H,14,15)/t7-,9+/m1/s1.
What are the key properties of (2S)-2-amino-3-[(3S)-2,3-dihydro-1H-indol-3-yl]propanoic acid?
(2S)-2-amino-3-[(3S)-2,3-dihydro-1H-indol-3-yl]propanoic acid has a molecular weight of 206.25 g/mol, XLogP of 1.00, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[(3S)-2,3-dihydro-1H-indol-3-yl]propanoic acid is sourced from PubChem (CID 56844224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).