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

C15H17N3O4 — CID 25200879

IUPAC5-amino-2-[[2-(1H-indol-3-yl)acetyl]amino]-5-oxopentanoic acid
SMILESNC(=O)CCC(NC(=O)Cc1c[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C15H17N3O4/c16-13(19)6-5-12(15(21)22)18-14(20)7-9-8-17-11-4-2-1-3-10(9)11/h1-4,8,12,17H,5-7H2,(H2,16,19)(H,18,20)(H,21,22)
InChIKeyDVJIJAYHBZALOJ-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.55
Rot. Bonds7

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

5-amino-2-[[2-(1H-indol-3-yl)acetyl]amino]-5-oxopentanoic acid (PubChem CID 25200879) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 5-amino-2-[[2-(1H-indol-3-yl)acetyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-[[2-(1H-indol-3-yl)acetyl]amino]-5-oxopentanoic acid
PubChem CID25200879
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name5-amino-2-[[2-(1H-indol-3-yl)acetyl]amino]-5-oxopentanoic acid
SMILESNC(=O)CCC(NC(=O)Cc1c[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C15H17N3O4/c16-13(19)6-5-12(15(21)22)18-14(20)7-9-8-17-11-4-2-1-3-10(9)11/h1-4,8,12,17H,5-7H2,(H2,16,19)(H,18,20)(H,21,22)
InChIKeyDVJIJAYHBZALOJ-UHFFFAOYSA-N
XLogP0.55
TPSA125.28 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[[2-(1H-indol-3-yl)acetyl]amino]-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-[[2-(1H-indol-3-yl)acetyl]amino]-5-oxopentanoic acid (CID 25200879) is 5-amino-2-[[2-(1H-indol-3-yl)acetyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-[[2-(1H-indol-3-yl)acetyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-[[2-(1H-indol-3-yl)acetyl]amino]-5-oxopentanoic acid is NC(=O)CCC(NC(=O)Cc1c[nH]c2ccccc12)C(=O)O.
What is the InChIKey of 5-amino-2-[[2-(1H-indol-3-yl)acetyl]amino]-5-oxopentanoic acid?
The InChIKey is DVJIJAYHBZALOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c16-13(19)6-5-12(15(21)22)18-14(20)7-9-8-17-11-4-2-1-3-10(9)11/h1-4,8,12,17H,5-7H2,(H2,16,19)(H,18,20)(H,21,22).
What are the key properties of 5-amino-2-[[2-(1H-indol-3-yl)acetyl]amino]-5-oxopentanoic acid?
5-amino-2-[[2-(1H-indol-3-yl)acetyl]amino]-5-oxopentanoic acid has a molecular weight of 303.32 g/mol, XLogP of 0.55, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[[2-(1H-indol-3-yl)acetyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 25200879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).