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

C14H16N2O3 — CID 119225264

IUPAC2-[[2-(7-methyl-1H-indol-3-yl)acetyl]amino]propanoic acid
SMILESCc1cccc2c(CC(=O)NC(C)C(=O)O)c[nH]c12
InChIInChI=1S/C14H16N2O3/c1-8-4-3-5-11-10(7-15-13(8)11)6-12(17)16-9(2)14(18)19/h3-5,7,9,15H,6H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyZZUDNFQVHGQFLP-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.61
Rot. Bonds4

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

2-[[2-(7-methyl-1H-indol-3-yl)acetyl]amino]propanoic acid (PubChem CID 119225264) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[[2-(7-methyl-1H-indol-3-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(7-methyl-1H-indol-3-yl)acetyl]amino]propanoic acid
PubChem CID119225264
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-[[2-(7-methyl-1H-indol-3-yl)acetyl]amino]propanoic acid
SMILESCc1cccc2c(CC(=O)NC(C)C(=O)O)c[nH]c12
InChIInChI=1S/C14H16N2O3/c1-8-4-3-5-11-10(7-15-13(8)11)6-12(17)16-9(2)14(18)19/h3-5,7,9,15H,6H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyZZUDNFQVHGQFLP-UHFFFAOYSA-N
XLogP1.61
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(7-methyl-1H-indol-3-yl)acetyl]amino]propanoic acid?
The IUPAC name of 2-[[2-(7-methyl-1H-indol-3-yl)acetyl]amino]propanoic acid (CID 119225264) is 2-[[2-(7-methyl-1H-indol-3-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-(7-methyl-1H-indol-3-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-(7-methyl-1H-indol-3-yl)acetyl]amino]propanoic acid is Cc1cccc2c(CC(=O)NC(C)C(=O)O)c[nH]c12.
What is the InChIKey of 2-[[2-(7-methyl-1H-indol-3-yl)acetyl]amino]propanoic acid?
The InChIKey is ZZUDNFQVHGQFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-8-4-3-5-11-10(7-15-13(8)11)6-12(17)16-9(2)14(18)19/h3-5,7,9,15H,6H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-[[2-(7-methyl-1H-indol-3-yl)acetyl]amino]propanoic acid?
2-[[2-(7-methyl-1H-indol-3-yl)acetyl]amino]propanoic acid has a molecular weight of 260.29 g/mol, XLogP of 1.61, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(7-methyl-1H-indol-3-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 119225264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).