2-[(5-amino-4-oxopentanoyl)-[2-[methyl-[5-(methylamino)-2,5-dioxopentyl]amino]-2-oxoethyl]amino]acetic acid

C16H26N4O7 — CID 123389969

IUPAC2-[(5-amino-4-oxopentanoyl)-[2-[methyl-[5-(methylamino)-2,5-dioxopentyl]amino]-2-oxoethyl]amino]acetic acid
SMILESCNC(=O)CCC(=O)CN(C)C(=O)CN(CC(=O)O)C(=O)CCC(=O)CN
InChIInChI=1S/C16H26N4O7/c1-18-13(23)5-3-12(22)8-19(2)15(25)9-20(10-16(26)27)14(24)6-4-11(21)7-17/h3-10,17H2,1-2H3,(H,18,23)(H,26,27)
InChIKeyJQOLDOOLVKESLM-UHFFFAOYSA-N
MW386.41 g/mol
LogP-2.24
Rot. Bonds13

About 2-[(5-amino-4-oxopentanoyl)-[2-[methyl-[5-(methylamino)-2,5-dioxopentyl]amino]-2-oxoethyl]amino]acetic acid

2-[(5-amino-4-oxopentanoyl)-[2-[methyl-[5-(methylamino)-2,5-dioxopentyl]amino]-2-oxoethyl]amino]acetic acid (PubChem CID 123389969) has the molecular formula C16H26N4O7 and a molecular weight of 386.41 g/mol. Its IUPAC name is 2-[(5-amino-4-oxopentanoyl)-[2-[methyl-[5-(methylamino)-2,5-dioxopentyl]amino]-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(5-amino-4-oxopentanoyl)-[2-[methyl-[5-(methylamino)-2,5-dioxopentyl]amino]-2-oxoethyl]amino]acetic acid
PubChem CID123389969
Molecular FormulaC16H26N4O7
Molecular Weight386.41 g/mol
Exact Mass386.18
IUPAC Name2-[(5-amino-4-oxopentanoyl)-[2-[methyl-[5-(methylamino)-2,5-dioxopentyl]amino]-2-oxoethyl]amino]acetic acid
SMILESCNC(=O)CCC(=O)CN(C)C(=O)CN(CC(=O)O)C(=O)CCC(=O)CN
InChIInChI=1S/C16H26N4O7/c1-18-13(23)5-3-12(22)8-19(2)15(25)9-20(10-16(26)27)14(24)6-4-11(21)7-17/h3-10,17H2,1-2H3,(H,18,23)(H,26,27)
InChIKeyJQOLDOOLVKESLM-UHFFFAOYSA-N
XLogP-2.24
TPSA167.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 5-2.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[(5-amino-4-oxopentanoyl)-[2-[methyl-[5-(methylamino)-2,5-dioxopentyl]amino]-2-oxoethyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-4-oxopentanoyl)-[2-[methyl-[5-(methylamino)-2,5-dioxopentyl]amino]-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[(5-amino-4-oxopentanoyl)-[2-[methyl-[5-(methylamino)-2,5-dioxopentyl]amino]-2-oxoethyl]amino]acetic acid (CID 123389969) is 2-[(5-amino-4-oxopentanoyl)-[2-[methyl-[5-(methylamino)-2,5-dioxopentyl]amino]-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[(5-amino-4-oxopentanoyl)-[2-[methyl-[5-(methylamino)-2,5-dioxopentyl]amino]-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[(5-amino-4-oxopentanoyl)-[2-[methyl-[5-(methylamino)-2,5-dioxopentyl]amino]-2-oxoethyl]amino]acetic acid is CNC(=O)CCC(=O)CN(C)C(=O)CN(CC(=O)O)C(=O)CCC(=O)CN.
What is the InChIKey of 2-[(5-amino-4-oxopentanoyl)-[2-[methyl-[5-(methylamino)-2,5-dioxopentyl]amino]-2-oxoethyl]amino]acetic acid?
The InChIKey is JQOLDOOLVKESLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O7/c1-18-13(23)5-3-12(22)8-19(2)15(25)9-20(10-16(26)27)14(24)6-4-11(21)7-17/h3-10,17H2,1-2H3,(H,18,23)(H,26,27).
What are the key properties of 2-[(5-amino-4-oxopentanoyl)-[2-[methyl-[5-(methylamino)-2,5-dioxopentyl]amino]-2-oxoethyl]amino]acetic acid?
2-[(5-amino-4-oxopentanoyl)-[2-[methyl-[5-(methylamino)-2,5-dioxopentyl]amino]-2-oxoethyl]amino]acetic acid has a molecular weight of 386.41 g/mol, XLogP of -2.24, 13 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-4-oxopentanoyl)-[2-[methyl-[5-(methylamino)-2,5-dioxopentyl]amino]-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 123389969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).