2-amino-3-(7-amino-2-methyl-1H-indol-3-yl)propanoic acid

C12H15N3O2 — CID 122499525

IUPAC2-amino-3-(7-amino-2-methyl-1H-indol-3-yl)propanoic acid
SMILESCc1[nH]c2c(N)cccc2c1CC(N)C(=O)O
InChIInChI=1S/C12H15N3O2/c1-6-8(5-10(14)12(16)17)7-3-2-4-9(13)11(7)15-6/h2-4,10,15H,5,13-14H2,1H3,(H,16,17)
InChIKeyLAXZLHCTSOPREO-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.01
Rot. Bonds3

About 2-amino-3-(7-amino-2-methyl-1H-indol-3-yl)propanoic acid

2-amino-3-(7-amino-2-methyl-1H-indol-3-yl)propanoic acid (PubChem CID 122499525) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-amino-3-(7-amino-2-methyl-1H-indol-3-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(7-amino-2-methyl-1H-indol-3-yl)propanoic acid
PubChem CID122499525
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-amino-3-(7-amino-2-methyl-1H-indol-3-yl)propanoic acid
SMILESCc1[nH]c2c(N)cccc2c1CC(N)C(=O)O
InChIInChI=1S/C12H15N3O2/c1-6-8(5-10(14)12(16)17)7-3-2-4-9(13)11(7)15-6/h2-4,10,15H,5,13-14H2,1H3,(H,16,17)
InChIKeyLAXZLHCTSOPREO-UHFFFAOYSA-N
XLogP1.01
TPSA105.13 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-3-(5-chloro-2-methyl-1H-indol-3-yl)propanoic acid
CID 91184565
2-amino-3-(6-hydroxy-2-methyl-1H-indol-3-yl)propanoic acid
CID 82620288
(2R)-2-amino-3-(2,6-dimethylphenyl)propanoic acid;hydrochloride
CID 154728811
(2R)-2-amino-3-(3-amino-2-methylphenyl)propanoic acid
CID 130643080
2-amino-3-(5-methoxy-2-methyl-1H-indol-3-yl)propanoic acid;ethane
CID 145142423
2-amino-3-[2-(4-methylphenyl)-1H-indol-3-yl]propanoic acid
CID 102436901
2-amino-3-(2-methyl-5,6,7,8-tetrahydro-1H-benzo[f]indol-3-yl)propanoic acid
CID 83984661
2,3-dihydroxybutanedioic acid;2-(2,7-dimethyl-1H-indol-3-yl)ethanamine
CID 6612556
2-amino-3-(7-chloro-2-methyl-4-nitro-1H-indol-3-yl)propanoic acid
CID 122473694
2-amino-N,N-dimethyl-3-(2-methyl-1H-indol-3-yl)propanamide
CID 116850216
(2S)-3-(6-acetyl-2,4,5,7-tetramethyl-1H-indol-3-yl)-2-aminopropanoic acid
CID 175961766
3-amino-4-(2-methyl-7-morpholin-4-yl-1H-indol-3-yl)but-1-en-2-ol;ethane
CID 145142369

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(7-amino-2-methyl-1H-indol-3-yl)propanoic acid?
The IUPAC name of 2-amino-3-(7-amino-2-methyl-1H-indol-3-yl)propanoic acid (CID 122499525) is 2-amino-3-(7-amino-2-methyl-1H-indol-3-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(7-amino-2-methyl-1H-indol-3-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(7-amino-2-methyl-1H-indol-3-yl)propanoic acid is Cc1[nH]c2c(N)cccc2c1CC(N)C(=O)O.
What is the InChIKey of 2-amino-3-(7-amino-2-methyl-1H-indol-3-yl)propanoic acid?
The InChIKey is LAXZLHCTSOPREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-6-8(5-10(14)12(16)17)7-3-2-4-9(13)11(7)15-6/h2-4,10,15H,5,13-14H2,1H3,(H,16,17).
What are the key properties of 2-amino-3-(7-amino-2-methyl-1H-indol-3-yl)propanoic acid?
2-amino-3-(7-amino-2-methyl-1H-indol-3-yl)propanoic acid has a molecular weight of 233.27 g/mol, XLogP of 1.01, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(7-amino-2-methyl-1H-indol-3-yl)propanoic acid is sourced from PubChem (CID 122499525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).