2-amino-3-(6-methylindol-1-yl)propanoic acid

C12H14N2O2 — CID 65442621

IUPAC2-amino-3-(6-methylindol-1-yl)propanoic acid
SMILESCc1ccc2ccn(CC(N)C(=O)O)c2c1
InChIInChI=1S/C12H14N2O2/c1-8-2-3-9-4-5-14(11(9)6-8)7-10(13)12(15)16/h2-6,10H,7,13H2,1H3,(H,15,16)
InChIKeyYVZYYNOPCHLOAW-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.36
Rot. Bonds3

About 2-amino-3-(6-methylindol-1-yl)propanoic acid

2-amino-3-(6-methylindol-1-yl)propanoic acid (PubChem CID 65442621) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-amino-3-(6-methylindol-1-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(6-methylindol-1-yl)propanoic acid
PubChem CID65442621
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-amino-3-(6-methylindol-1-yl)propanoic acid
SMILESCc1ccc2ccn(CC(N)C(=O)O)c2c1
InChIInChI=1S/C12H14N2O2/c1-8-2-3-9-4-5-14(11(9)6-8)7-10(13)12(15)16/h2-6,10H,7,13H2,1H3,(H,15,16)
InChIKeyYVZYYNOPCHLOAW-UHFFFAOYSA-N
XLogP1.36
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-hydroxy-4-(6-methylindol-1-yl)butanoate
CID 82777232
1-(2,2-difluoroethyl)-6-methylindole
CID 116546869
(2S)-2-amino-3-(5-chloroindol-1-yl)propanoic acid
CID 68889856
1-bromo-3-(6-methylindol-1-yl)propan-2-ol
CID 130577128
2,2-dimethyl-3-(6-methylindol-1-yl)propanoic acid
CID 79629461
1-cyclopropyl-2-(6-methylindol-1-yl)ethanone
CID 63914817
1-(2,2-diethoxyethyl)-6-methylindole
CID 55249362
N,N-dimethyl-2-(6-methylindol-1-yl)acetamide
CID 116546688
3,3-dimethyl-1-(6-methylindol-1-yl)butan-2-one
CID 62025224
2-[4-[(6-methylindol-1-yl)methyl]phenyl]acetic acid
CID 105345354
4-[(6-methylindol-1-yl)methyl]pyridine-2-carboxylic acid
CID 63885355
2-(6-methylindol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 62023194

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(6-methylindol-1-yl)propanoic acid?
The IUPAC name of 2-amino-3-(6-methylindol-1-yl)propanoic acid (CID 65442621) is 2-amino-3-(6-methylindol-1-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(6-methylindol-1-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(6-methylindol-1-yl)propanoic acid is Cc1ccc2ccn(CC(N)C(=O)O)c2c1.
What is the InChIKey of 2-amino-3-(6-methylindol-1-yl)propanoic acid?
The InChIKey is YVZYYNOPCHLOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-8-2-3-9-4-5-14(11(9)6-8)7-10(13)12(15)16/h2-6,10H,7,13H2,1H3,(H,15,16).
What are the key properties of 2-amino-3-(6-methylindol-1-yl)propanoic acid?
2-amino-3-(6-methylindol-1-yl)propanoic acid has a molecular weight of 218.26 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(6-methylindol-1-yl)propanoic acid is sourced from PubChem (CID 65442621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).