(2S)-2-[[2-(5-methoxyindol-1-yl)acetyl]amino]propanoic acid

C14H16N2O4 — CID 39377928

IUPAC(2S)-2-[[2-(5-methoxyindol-1-yl)acetyl]amino]propanoic acid
SMILESCOc1ccc2c(ccn2CC(=O)N[C@@H](C)C(=O)O)c1
InChIInChI=1S/C14H16N2O4/c1-9(14(18)19)15-13(17)8-16-6-5-10-7-11(20-2)3-4-12(10)16/h3-7,9H,8H2,1-2H3,(H,15,17)(H,18,19)/t9-/m0/s1
InChIKeyAZDGRLGDDAABIF-VIFPVBQESA-N
MW276.29 g/mol
LogP1.24
Rot. Bonds5

About (2S)-2-[[2-(5-methoxyindol-1-yl)acetyl]amino]propanoic acid

(2S)-2-[[2-(5-methoxyindol-1-yl)acetyl]amino]propanoic acid (PubChem CID 39377928) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is (2S)-2-[[2-(5-methoxyindol-1-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-(5-methoxyindol-1-yl)acetyl]amino]propanoic acid
PubChem CID39377928
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name(2S)-2-[[2-(5-methoxyindol-1-yl)acetyl]amino]propanoic acid
SMILESCOc1ccc2c(ccn2CC(=O)N[C@@H](C)C(=O)O)c1
InChIInChI=1S/C14H16N2O4/c1-9(14(18)19)15-13(17)8-16-6-5-10-7-11(20-2)3-4-12(10)16/h3-7,9H,8H2,1-2H3,(H,15,17)(H,18,19)/t9-/m0/s1
InChIKeyAZDGRLGDDAABIF-VIFPVBQESA-N
XLogP1.24
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(5-chloroindol-1-yl)acetyl]amino]propanoic acid
CID 53368015
2-(5-methoxyindol-1-yl)-N-(6-methylheptan-2-yl)acetamide
CID 42648833
5-(carbamoylamino)-2-[[2-(5-methoxyindol-1-yl)acetyl]amino]pentanoic acid
CID 71949551
N-tert-butyl-2-(5-methoxyindol-1-yl)acetamide
CID 115582184
N-(4-hydroxy-2-methylpentyl)-2-(5-methoxyindol-1-yl)acetamide
CID 111447043
2-(5-methoxyindol-1-yl)-N-prop-2-ynylacetamide
CID 115582181
2-(5-phenylmethoxyindol-1-yl)-N-propan-2-ylacetamide
CID 39314820
(2R,3S)-2-[3-(5-methoxyindol-1-yl)propanoylamino]-3-methylpentanoic acid
CID 124647642
2-(5-methoxyindol-1-yl)-N-(1-propan-2-ylindol-4-yl)acetamide
CID 56763610
2-(5-methoxyindol-1-yl)-N-pyridin-2-ylacetamide
CID 29137208
2-(5-methoxyindol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 29133435
methyl 4-[[2-(5-methoxyindol-1-yl)acetyl]amino]benzoate
CID 29135985

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(5-methoxyindol-1-yl)acetyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[2-(5-methoxyindol-1-yl)acetyl]amino]propanoic acid (CID 39377928) is (2S)-2-[[2-(5-methoxyindol-1-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[2-(5-methoxyindol-1-yl)acetyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[2-(5-methoxyindol-1-yl)acetyl]amino]propanoic acid is COc1ccc2c(ccn2CC(=O)N[C@@H](C)C(=O)O)c1.
What is the InChIKey of (2S)-2-[[2-(5-methoxyindol-1-yl)acetyl]amino]propanoic acid?
The InChIKey is AZDGRLGDDAABIF-VIFPVBQESA-N. The full InChI is InChI=1S/C14H16N2O4/c1-9(14(18)19)15-13(17)8-16-6-5-10-7-11(20-2)3-4-12(10)16/h3-7,9H,8H2,1-2H3,(H,15,17)(H,18,19)/t9-/m0/s1.
What are the key properties of (2S)-2-[[2-(5-methoxyindol-1-yl)acetyl]amino]propanoic acid?
(2S)-2-[[2-(5-methoxyindol-1-yl)acetyl]amino]propanoic acid has a molecular weight of 276.29 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(5-methoxyindol-1-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 39377928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).