copper;(2S)-2-amino-3-(1H-indol-3-yl)propanoate;(2S)-2-amino-3-phenylpropanoate

C20H21CuN3O4 — CID 10252147

IUPACcopper;(2S)-2-amino-3-(1H-indol-3-yl)propanoate;(2S)-2-amino-3-phenylpropanoate
SMILESN[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-].N[C@@H](Cc1ccccc1)C(=O)[O-].[Cu+2]
InChIInChI=1S/C11H12N2O2.C9H11NO2.Cu/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;10-8(9(11)12)6-7-4-2-1-3-5-7;/h1-4,6,9,13H,5,12H2,(H,14,15);1-5,8H,6,10H2,(H,11,12);/q;;+2/p-2/t9-;8-;/m00./s1
InChIKeyCLLXKTDDWKCEFK-BFLLFUATSA-L
MW430.95 g/mol
LogP-0.91
Rot. Bonds6

About copper;(2S)-2-amino-3-(1H-indol-3-yl)propanoate;(2S)-2-amino-3-phenylpropanoate

copper;(2S)-2-amino-3-(1H-indol-3-yl)propanoate;(2S)-2-amino-3-phenylpropanoate (PubChem CID 10252147) has the molecular formula C20H21CuN3O4 and a molecular weight of 430.95 g/mol. Its IUPAC name is copper;(2S)-2-amino-3-(1H-indol-3-yl)propanoate;(2S)-2-amino-3-phenylpropanoate.

Molecular Properties

Compound Namecopper;(2S)-2-amino-3-(1H-indol-3-yl)propanoate;(2S)-2-amino-3-phenylpropanoate
PubChem CID10252147
Molecular FormulaC20H21CuN3O4
Molecular Weight430.95 g/mol
Exact Mass430.08
IUPAC Namecopper;(2S)-2-amino-3-(1H-indol-3-yl)propanoate;(2S)-2-amino-3-phenylpropanoate
SMILESN[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-].N[C@@H](Cc1ccccc1)C(=O)[O-].[Cu+2]
InChIInChI=1S/C11H12N2O2.C9H11NO2.Cu/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;10-8(9(11)12)6-7-4-2-1-3-5-7;/h1-4,6,9,13H,5,12H2,(H,14,15);1-5,8H,6,10H2,(H,11,12);/q;;+2/p-2/t9-;8-;/m00./s1
InChIKeyCLLXKTDDWKCEFK-BFLLFUATSA-L
XLogP-0.91
TPSA148.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.95
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze copper;(2S)-2-amino-3-(1H-indol-3-yl)propanoate;(2S)-2-amino-3-phenylpropanoate 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

tris((2S)-2-amino-3-(1H-indol-3-yl)propanoate);chromium(3+)
CID 172797922
(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
benzyl 2-amino-3-(1H-indol-3-yl)propanoate;hydrochloride
CID 3084617
benzyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate;hydrochloride
CID 44629900
2-[(2-amino-3-phenylpropanoyl)amino]-3-(1H-indol-3-yl)propanoic acid
CID 174791957
(2R)-2-amino-3-(1H-indol-3-yl)propanoyl fluoride
CID 175991895
2-amino-3-(1H-indol-3-yl)propanoic acid;nitric acid
CID 67632741

Frequently Asked Questions

What is the IUPAC name of copper;(2S)-2-amino-3-(1H-indol-3-yl)propanoate;(2S)-2-amino-3-phenylpropanoate?
The IUPAC name of copper;(2S)-2-amino-3-(1H-indol-3-yl)propanoate;(2S)-2-amino-3-phenylpropanoate (CID 10252147) is copper;(2S)-2-amino-3-(1H-indol-3-yl)propanoate;(2S)-2-amino-3-phenylpropanoate.
What is the SMILES notation for copper;(2S)-2-amino-3-(1H-indol-3-yl)propanoate;(2S)-2-amino-3-phenylpropanoate?
The canonical SMILES for copper;(2S)-2-amino-3-(1H-indol-3-yl)propanoate;(2S)-2-amino-3-phenylpropanoate is N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-].N[C@@H](Cc1ccccc1)C(=O)[O-].[Cu+2].
What is the InChIKey of copper;(2S)-2-amino-3-(1H-indol-3-yl)propanoate;(2S)-2-amino-3-phenylpropanoate?
The InChIKey is CLLXKTDDWKCEFK-BFLLFUATSA-L. The full InChI is InChI=1S/C11H12N2O2.C9H11NO2.Cu/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;10-8(9(11)12)6-7-4-2-1-3-5-7;/h1-4,6,9,13H,5,12H2,(H,14,15);1-5,8H,6,10H2,(H,11,12);/q;;+2/p-2/t9-;8-;/m00./s1.
What are the key properties of copper;(2S)-2-amino-3-(1H-indol-3-yl)propanoate;(2S)-2-amino-3-phenylpropanoate?
copper;(2S)-2-amino-3-(1H-indol-3-yl)propanoate;(2S)-2-amino-3-phenylpropanoate has a molecular weight of 430.95 g/mol, XLogP of -0.91, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper;(2S)-2-amino-3-(1H-indol-3-yl)propanoate;(2S)-2-amino-3-phenylpropanoate is sourced from PubChem (CID 10252147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).