2-[[2-(5-methyl-1H-indol-3-yl)acetyl]amino]acetic acid

C13H14N2O3 — CID 110835976

IUPAC2-[[2-(5-methyl-1H-indol-3-yl)acetyl]amino]acetic acid
SMILESCc1ccc2[nH]cc(CC(=O)NCC(=O)O)c2c1
InChIInChI=1S/C13H14N2O3/c1-8-2-3-11-10(4-8)9(6-14-11)5-12(16)15-7-13(17)18/h2-4,6,14H,5,7H2,1H3,(H,15,16)(H,17,18)
InChIKeySHGUYMKIZDTCNX-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.22
Rot. Bonds4

About 2-[[2-(5-methyl-1H-indol-3-yl)acetyl]amino]acetic acid

2-[[2-(5-methyl-1H-indol-3-yl)acetyl]amino]acetic acid (PubChem CID 110835976) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-[[2-(5-methyl-1H-indol-3-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(5-methyl-1H-indol-3-yl)acetyl]amino]acetic acid
PubChem CID110835976
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name2-[[2-(5-methyl-1H-indol-3-yl)acetyl]amino]acetic acid
SMILESCc1ccc2[nH]cc(CC(=O)NCC(=O)O)c2c1
InChIInChI=1S/C13H14N2O3/c1-8-2-3-11-10(4-8)9(6-14-11)5-12(16)15-7-13(17)18/h2-4,6,14H,5,7H2,1H3,(H,15,16)(H,17,18)
InChIKeySHGUYMKIZDTCNX-UHFFFAOYSA-N
XLogP1.22
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide
CID 17339304
N-(4-acetylphenyl)-2-(5-methyl-1H-indol-3-yl)acetamide
CID 110861147
2-amino-3-(5-methyl-1H-indol-3-yl)propanoic acid;hydrate
CID 18530245
(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;ethane
CID 145142449
2-methoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide
CID 17271899
N-(2,6-dimethylphenyl)-2-[2-(5-methyl-1H-indol-3-yl)ethylamino]acetamide
CID 17066776
N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(5-methyl-1H-indol-3-yl)acetamide
CID 143148058
2-[5-(3,5-dimethylphenyl)-1H-indol-3-yl]acetic acid
CID 95483214
2-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]acetic acid
CID 43241710
2-(5-chloro-1H-indol-3-yl)-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]acetamide
CID 110625376
2-(5-fluoro-1H-indol-3-yl)-N-propylacetamide
CID 110700222

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-methyl-1H-indol-3-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(5-methyl-1H-indol-3-yl)acetyl]amino]acetic acid (CID 110835976) is 2-[[2-(5-methyl-1H-indol-3-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(5-methyl-1H-indol-3-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(5-methyl-1H-indol-3-yl)acetyl]amino]acetic acid is Cc1ccc2[nH]cc(CC(=O)NCC(=O)O)c2c1.
What is the InChIKey of 2-[[2-(5-methyl-1H-indol-3-yl)acetyl]amino]acetic acid?
The InChIKey is SHGUYMKIZDTCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-8-2-3-11-10(4-8)9(6-14-11)5-12(16)15-7-13(17)18/h2-4,6,14H,5,7H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[[2-(5-methyl-1H-indol-3-yl)acetyl]amino]acetic acid?
2-[[2-(5-methyl-1H-indol-3-yl)acetyl]amino]acetic acid has a molecular weight of 246.27 g/mol, XLogP of 1.22, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-methyl-1H-indol-3-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 110835976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).