(2R)-2-[(2-methylindol-2-yl)amino]propanoic acid

C12H14N2O2 — CID 70151426

IUPAC(2R)-2-[(2-methylindol-2-yl)amino]propanoic acid
SMILESC[C@@H](NC1(C)C=c2ccccc2=N1)C(=O)O
InChIInChI=1S/C12H14N2O2/c1-8(11(15)16)13-12(2)7-9-5-3-4-6-10(9)14-12/h3-8,13H,1-2H3,(H,15,16)/t8-,12?/m1/s1
InChIKeyFTJBPIIBYMDUNB-SZSXPDSJSA-N
MW218.26 g/mol
LogP-0.12
Rot. Bonds3

About (2R)-2-[(2-methylindol-2-yl)amino]propanoic acid

(2R)-2-[(2-methylindol-2-yl)amino]propanoic acid (PubChem CID 70151426) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is (2R)-2-[(2-methylindol-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-methylindol-2-yl)amino]propanoic acid
PubChem CID70151426
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name(2R)-2-[(2-methylindol-2-yl)amino]propanoic acid
SMILESC[C@@H](NC1(C)C=c2ccccc2=N1)C(=O)O
InChIInChI=1S/C12H14N2O2/c1-8(11(15)16)13-12(2)7-9-5-3-4-6-10(9)14-12/h3-8,13H,1-2H3,(H,15,16)/t8-,12?/m1/s1
InChIKeyFTJBPIIBYMDUNB-SZSXPDSJSA-N
XLogP-0.12
TPSA61.69 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 ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[(2-methylindol-2-yl)amino]propanoic 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

2-anilinopropanoic acid;hydrochloride
CID 19096756
2-[(9-phenylfluoren-9-yl)amino]propanoic acid
CID 22116668
(2S)-2-[(2,6-dimethylphenyl)carbamoylamino]propanoic acid
CID 28508457
2-[(2,6-dimethylphenyl)carbamoylamino]propanoic acid
CID 61190244
2-[[2-[(3-methanehydrazonoylbenzoyl)amino]benzimidazol-2-yl]amino]propanoic acid
CID 173251550
2-[(4-phenylphenyl)carbamoylamino]propanoic acid
CID 62254578
2-(2-phenylhydrazinyl)propanoic acid
CID 77247806
2-[(2-chlorophenyl)carbamoylamino]propanoic acid
CID 3838662
(2S)-2-(4-benzoylanilino)propanoic acid
CID 54396122
spiro[1H-pyridine-2,2'-indole]
CID 156768233
2-(4-benzoylanilino)propanoic acid
CID 23202897
(2S)-2-(phenoxyamino)propanoic acid
CID 88593893

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-methylindol-2-yl)amino]propanoic acid?
The IUPAC name of (2R)-2-[(2-methylindol-2-yl)amino]propanoic acid (CID 70151426) is (2R)-2-[(2-methylindol-2-yl)amino]propanoic acid.
What is the SMILES notation for (2R)-2-[(2-methylindol-2-yl)amino]propanoic acid?
The canonical SMILES for (2R)-2-[(2-methylindol-2-yl)amino]propanoic acid is C[C@@H](NC1(C)C=c2ccccc2=N1)C(=O)O.
What is the InChIKey of (2R)-2-[(2-methylindol-2-yl)amino]propanoic acid?
The InChIKey is FTJBPIIBYMDUNB-SZSXPDSJSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-8(11(15)16)13-12(2)7-9-5-3-4-6-10(9)14-12/h3-8,13H,1-2H3,(H,15,16)/t8-,12?/m1/s1.
What are the key properties of (2R)-2-[(2-methylindol-2-yl)amino]propanoic acid?
(2R)-2-[(2-methylindol-2-yl)amino]propanoic acid has a molecular weight of 218.26 g/mol, XLogP of -0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-methylindol-2-yl)amino]propanoic acid is sourced from PubChem (CID 70151426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).