2-[2-[[2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoylamino]acetic acid

C18H23N5O5 — CID 18491441

About 2-[2-[[2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoylamino]acetic acid

2-[2-[[2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoylamino]acetic acid (PubChem CID 18491441) has the molecular formula C18H23N5O5 and a molecular weight of 389.41 g/mol. Its IUPAC name is 2-[2-[[2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoylamino]acetic acid.

Molecular Properties

• Compound Name: 2-[2-[[2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoylamino]acetic acid
• PubChem CID: 18491441
• Molecular Formula: C18H23N5O5
• Molecular Weight: 389.41 g/mol
• Exact Mass: 389.17
• IUPAC Name: 2-[2-[[2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoylamino]acetic acid
• SMILES: CC(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CN)C(=O)NCC(=O)O
• InChI: InChI=1S/C18H23N5O5/c1-10(17(27)21-9-16(25)26)22-18(28)14(23-15(24)7-19)6-11-8-20-13-5-3-2-4-12(11)13/h2-5,8,10,14,20H,6-7,9,19H2,1H3,(H,21,27)(H,22,28)(H,23,24)(H,25,26)
• InChIKey: QDMXBGYSKXZXEA-UHFFFAOYSA-N
• XLogP: -1.14
• TPSA: 166.41 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	389.41
LogP ≤ 5	-1.14
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoylamino]acetic acid?

The IUPAC name of 2-[2-[[2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoylamino]acetic acid (CID 18491441) is 2-[2-[[2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoylamino]acetic acid.

What is the SMILES notation for 2-[2-[[2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoylamino]acetic acid?

The canonical SMILES for 2-[2-[[2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoylamino]acetic acid is CC(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CN)C(=O)NCC(=O)O.

What is the InChIKey of 2-[2-[[2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoylamino]acetic acid?

The InChIKey is QDMXBGYSKXZXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O5/c1-10(17(27)21-9-16(25)26)22-18(28)14(23-15(24)7-19)6-11-8-20-13-5-3-2-4-12(11)13/h2-5,8,10,14,20H,6-7,9,19H2,1H3,(H,21,27)(H,22,28)(H,23,24)(H,25,26).

What are the key properties of 2-[2-[[2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoylamino]acetic acid?

2-[2-[[2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoylamino]acetic acid has a molecular weight of 389.41 g/mol, XLogP of -1.14, 9 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[[2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoylamino]acetic acid is sourced from PubChem (CID 18491441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).