(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;2-hydroxy-2-phenylpropanoic acid

C20H22N2O5 — CID 86649661

IUPAC(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;2-hydroxy-2-phenylpropanoic acid
SMILESCC(O)(C(=O)O)c1ccccc1.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C11H12N2O2.C9H10O3/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;1-9(12,8(10)11)7-5-3-2-4-6-7/h1-4,6,9,13H,5,12H2,(H,14,15);2-6,12H,1H3,(H,10,11)/t9-;/m0./s1
InChIKeyPYFFSCCSCOGNRB-FVGYRXGTSA-N
MW370.41 g/mol
LogP2.10
Rot. Bonds5

About (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;2-hydroxy-2-phenylpropanoic acid

(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;2-hydroxy-2-phenylpropanoic acid (PubChem CID 86649661) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;2-hydroxy-2-phenylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;2-hydroxy-2-phenylpropanoic acid
PubChem CID86649661
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;2-hydroxy-2-phenylpropanoic acid
SMILESCC(O)(C(=O)O)c1ccccc1.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C11H12N2O2.C9H10O3/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;1-9(12,8(10)11)7-5-3-2-4-6-7/h1-4,6,9,13H,5,12H2,(H,14,15);2-6,12H,1H3,(H,10,11)/t9-;/m0./s1
InChIKeyPYFFSCCSCOGNRB-FVGYRXGTSA-N
XLogP2.10
TPSA136.64 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;2-hydroxy-2-phenylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-3-(1H-indol-3-yl)(1,2,3-13C3)propanoic acid
CID 162642150
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
CID 6305
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;manganese
CID 159424306
CID 70188356
CID 70188356
2-amino-3-(1H-indol-3-yl)propanoic acid;gold
CID 175305655
2-amino-3-(1H-indol-3-yl)propanoic acid;dihydrate
CID 86010535
2-amino-3-(1H-indol-3-yl)propanoic acid;2-aminopropanoic acid
CID 19078905
acetaldehyde;(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
CID 88778377
2-amino-3-(1H-indol-3-yl)propanoic acid;nitric acid
CID 67632741
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;methanesulfonic acid
CID 121440286
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;phenol
CID 160637775
2-amino-3-(1H-indol-3-yl)propanoic acid;sulfuric acid
CID 19909490

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;2-hydroxy-2-phenylpropanoic acid?
The IUPAC name of (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;2-hydroxy-2-phenylpropanoic acid (CID 86649661) is (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;2-hydroxy-2-phenylpropanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;2-hydroxy-2-phenylpropanoic acid?
The canonical SMILES for (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;2-hydroxy-2-phenylpropanoic acid is CC(O)(C(=O)O)c1ccccc1.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;2-hydroxy-2-phenylpropanoic acid?
The InChIKey is PYFFSCCSCOGNRB-FVGYRXGTSA-N. The full InChI is InChI=1S/C11H12N2O2.C9H10O3/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;1-9(12,8(10)11)7-5-3-2-4-6-7/h1-4,6,9,13H,5,12H2,(H,14,15);2-6,12H,1H3,(H,10,11)/t9-;/m0./s1.
What are the key properties of (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;2-hydroxy-2-phenylpropanoic acid?
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;2-hydroxy-2-phenylpropanoic acid has a molecular weight of 370.41 g/mol, XLogP of 2.10, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;2-hydroxy-2-phenylpropanoic acid is sourced from PubChem (CID 86649661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).