2-(1H-indol-3-yl)-2-(methylamino)acetic acid

C11H12N2O2 — CID 82469928

IUPAC2-(1H-indol-3-yl)-2-(methylamino)acetic acid
SMILESCNC(C(=O)O)c1c[nH]c2ccccc12
InChIInChI=1S/C11H12N2O2/c1-12-10(11(14)15)8-6-13-9-5-3-2-4-7(8)9/h2-6,10,12-13H,1H3,(H,14,15)
InChIKeyKNSNZYDTVHPLEC-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.51
Rot. Bonds3

About 2-(1H-indol-3-yl)-2-(methylamino)acetic acid

2-(1H-indol-3-yl)-2-(methylamino)acetic acid (PubChem CID 82469928) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-2-(methylamino)acetic acid.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-2-(methylamino)acetic acid
PubChem CID82469928
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name2-(1H-indol-3-yl)-2-(methylamino)acetic acid
SMILESCNC(C(=O)O)c1c[nH]c2ccccc12
InChIInChI=1S/C11H12N2O2/c1-12-10(11(14)15)8-6-13-9-5-3-2-4-7(8)9/h2-6,10,12-13H,1H3,(H,14,15)
InChIKeyKNSNZYDTVHPLEC-UHFFFAOYSA-N
XLogP1.51
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1H-indol-3-yl(methylamino)methyl]butanoic acid
CID 116959705
2-hydroxy-2-(1H-indol-3-yl)-N-methylacetamide
CID 83532275
2-(1H-indol-3-yl)-3-methylbutanedioic acid
CID 57149405
4-(dimethylamino)-4-(1H-indol-3-yl)-2-methylbutanoic acid
CID 116908267
1-(1H-indol-3-yl)-N-methyl-1-phenylmethanamine
CID 11322318
2-(1H-indol-3-yl)-4-methylpentanoic acid
CID 83644825
N-[1-(1H-indol-3-yl)-2-oxopropyl]-2-methylpropanamide
CID 144559004
(2R)-2-(furan-2-ylmethylamino)-2-(1H-indol-3-yl)acetic acid
CID 42536101
1-chloro-1-(1H-indol-3-yl)-N-methylmethanamine
CID 116962085
(3R)-3-(1H-indol-3-yl)-2-oxobutanoic acid
CID 118796912
[(1R)-1-(1H-indol-3-yl)-2-methoxy-2-oxoethyl]azanium
CID 2374175
2-(methylamino)-2-(1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)acetic acid
CID 83984535

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-2-(methylamino)acetic acid?
The IUPAC name of 2-(1H-indol-3-yl)-2-(methylamino)acetic acid (CID 82469928) is 2-(1H-indol-3-yl)-2-(methylamino)acetic acid.
What is the SMILES notation for 2-(1H-indol-3-yl)-2-(methylamino)acetic acid?
The canonical SMILES for 2-(1H-indol-3-yl)-2-(methylamino)acetic acid is CNC(C(=O)O)c1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-yl)-2-(methylamino)acetic acid?
The InChIKey is KNSNZYDTVHPLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-12-10(11(14)15)8-6-13-9-5-3-2-4-7(8)9/h2-6,10,12-13H,1H3,(H,14,15).
What are the key properties of 2-(1H-indol-3-yl)-2-(methylamino)acetic acid?
2-(1H-indol-3-yl)-2-(methylamino)acetic acid has a molecular weight of 204.23 g/mol, XLogP of 1.51, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-2-(methylamino)acetic acid is sourced from PubChem (CID 82469928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).