(2S)-2-amino-3-(5-nitroso-1H-indol-3-yl)propanoic acid

C11H11N3O3 — CID 174880510

IUPAC(2S)-2-amino-3-(5-nitroso-1H-indol-3-yl)propanoic acid
SMILESN[C@@H](Cc1c[nH]c2ccc(N=O)cc12)C(=O)O
InChIInChI=1S/C11H11N3O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14-17)4-8(6)10/h1-2,4-5,9,13H,3,12H2,(H,15,16)/t9-/m0/s1
InChIKeyAZDYVNZLLKZTLR-VIFPVBQESA-N
MW233.23 g/mol
LogP1.52
Rot. Bonds4

About (2S)-2-amino-3-(5-nitroso-1H-indol-3-yl)propanoic acid

(2S)-2-amino-3-(5-nitroso-1H-indol-3-yl)propanoic acid (PubChem CID 174880510) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is (2S)-2-amino-3-(5-nitroso-1H-indol-3-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(5-nitroso-1H-indol-3-yl)propanoic acid
PubChem CID174880510
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name(2S)-2-amino-3-(5-nitroso-1H-indol-3-yl)propanoic acid
SMILESN[C@@H](Cc1c[nH]c2ccc(N=O)cc12)C(=O)O
InChIInChI=1S/C11H11N3O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14-17)4-8(6)10/h1-2,4-5,9,13H,3,12H2,(H,15,16)/t9-/m0/s1
InChIKeyAZDYVNZLLKZTLR-VIFPVBQESA-N
XLogP1.52
TPSA108.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-amino-2-carboxyethyl)-1H-indole-5-carboxylic acid
CID 22669189
(2S)-2-amino-3-(5-methyl-1H-indol-3-yl)propanoic acid;hydrochloride
CID 21122035
2-amino-3-(5-methyl-1H-indol-3-yl)propanoic acid;hydrate
CID 18530245
(2S)-2-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid;hydrate
CID 24721259
2-amino-3-(5-methyl-1H-indol-3-yl)propanoic acid;ethane
CID 145142449
(2S)-2-amino-3-[5-(4-methylphenyl)-1H-indol-3-yl]propanoic acid
CID 25111495
(2S)-2-amino-3-(5-methoxy-1H-indol-3-yl)propanoic acid
CID 175665456
2-amino-3-(5-methylsulfanyl-1H-indol-3-yl)propanoic acid
CID 86104362
2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;methane;2-methylpropane
CID 164563516
(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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(5-nitroso-1H-indol-3-yl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(5-nitroso-1H-indol-3-yl)propanoic acid (CID 174880510) is (2S)-2-amino-3-(5-nitroso-1H-indol-3-yl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(5-nitroso-1H-indol-3-yl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(5-nitroso-1H-indol-3-yl)propanoic acid is N[C@@H](Cc1c[nH]c2ccc(N=O)cc12)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(5-nitroso-1H-indol-3-yl)propanoic acid?
The InChIKey is AZDYVNZLLKZTLR-VIFPVBQESA-N. The full InChI is InChI=1S/C11H11N3O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14-17)4-8(6)10/h1-2,4-5,9,13H,3,12H2,(H,15,16)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-3-(5-nitroso-1H-indol-3-yl)propanoic acid?
(2S)-2-amino-3-(5-nitroso-1H-indol-3-yl)propanoic acid has a molecular weight of 233.23 g/mol, XLogP of 1.52, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(5-nitroso-1H-indol-3-yl)propanoic acid is sourced from PubChem (CID 174880510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).