(2S)-2-amino-3-(6-hydroxy-2,3-dihydro-1H-indol-3-yl)propanoic acid

C11H14N2O3 — CID 121229041

IUPAC(2S)-2-amino-3-(6-hydroxy-2,3-dihydro-1H-indol-3-yl)propanoic acid
SMILESN[C@@H](CC1CNc2cc(O)ccc21)C(=O)O
InChIInChI=1S/C11H14N2O3/c12-9(11(15)16)3-6-5-13-10-4-7(14)1-2-8(6)10/h1-2,4,6,9,13-14H,3,5,12H2,(H,15,16)/t6?,9-/m0/s1
InChIKeyKERQRCTVTGMWHX-HSOSERFQSA-N
MW222.24 g/mol
LogP0.70
Rot. Bonds3

About (2S)-2-amino-3-(6-hydroxy-2,3-dihydro-1H-indol-3-yl)propanoic acid

(2S)-2-amino-3-(6-hydroxy-2,3-dihydro-1H-indol-3-yl)propanoic acid (PubChem CID 121229041) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is (2S)-2-amino-3-(6-hydroxy-2,3-dihydro-1H-indol-3-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(6-hydroxy-2,3-dihydro-1H-indol-3-yl)propanoic acid
PubChem CID121229041
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name(2S)-2-amino-3-(6-hydroxy-2,3-dihydro-1H-indol-3-yl)propanoic acid
SMILESN[C@@H](CC1CNc2cc(O)ccc21)C(=O)O
InChIInChI=1S/C11H14N2O3/c12-9(11(15)16)3-6-5-13-10-4-7(14)1-2-8(6)10/h1-2,4,6,9,13-14H,3,5,12H2,(H,15,16)/t6?,9-/m0/s1
InChIKeyKERQRCTVTGMWHX-HSOSERFQSA-N
XLogP0.70
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(6-hydroxy-2,3-dihydro-1H-indol-3-yl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(6-hydroxy-2,3-dihydro-1H-indol-3-yl)propanoic acid (CID 121229041) is (2S)-2-amino-3-(6-hydroxy-2,3-dihydro-1H-indol-3-yl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(6-hydroxy-2,3-dihydro-1H-indol-3-yl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(6-hydroxy-2,3-dihydro-1H-indol-3-yl)propanoic acid is N[C@@H](CC1CNc2cc(O)ccc21)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(6-hydroxy-2,3-dihydro-1H-indol-3-yl)propanoic acid?
The InChIKey is KERQRCTVTGMWHX-HSOSERFQSA-N. The full InChI is InChI=1S/C11H14N2O3/c12-9(11(15)16)3-6-5-13-10-4-7(14)1-2-8(6)10/h1-2,4,6,9,13-14H,3,5,12H2,(H,15,16)/t6?,9-/m0/s1.
What are the key properties of (2S)-2-amino-3-(6-hydroxy-2,3-dihydro-1H-indol-3-yl)propanoic acid?
(2S)-2-amino-3-(6-hydroxy-2,3-dihydro-1H-indol-3-yl)propanoic acid has a molecular weight of 222.24 g/mol, XLogP of 0.70, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(6-hydroxy-2,3-dihydro-1H-indol-3-yl)propanoic acid is sourced from PubChem (CID 121229041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).