2-[[4-methyl-2-[[2-[(2-morpholin-4-ylacetyl)amino]acetyl]amino]pentanoyl]amino]acetic acid

C16H28N4O6 — CID 123896160

IUPAC2-[[4-methyl-2-[[2-[(2-morpholin-4-ylacetyl)amino]acetyl]amino]pentanoyl]amino]acetic acid
SMILESCC(C)CC(NC(=O)CNC(=O)CN1CCOCC1)C(=O)NCC(=O)O
InChIInChI=1S/C16H28N4O6/c1-11(2)7-12(16(25)18-9-15(23)24)19-13(21)8-17-14(22)10-20-3-5-26-6-4-20/h11-12H,3-10H2,1-2H3,(H,17,22)(H,18,25)(H,19,21)(H,23,24)
InChIKeyVKWSXZGHJMJROX-UHFFFAOYSA-N
MW372.42 g/mol
LogP-1.83
Rot. Bonds10

About 2-[[4-methyl-2-[[2-[(2-morpholin-4-ylacetyl)amino]acetyl]amino]pentanoyl]amino]acetic acid

2-[[4-methyl-2-[[2-[(2-morpholin-4-ylacetyl)amino]acetyl]amino]pentanoyl]amino]acetic acid (PubChem CID 123896160) has the molecular formula C16H28N4O6 and a molecular weight of 372.42 g/mol. Its IUPAC name is 2-[[4-methyl-2-[[2-[(2-morpholin-4-ylacetyl)amino]acetyl]amino]pentanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-methyl-2-[[2-[(2-morpholin-4-ylacetyl)amino]acetyl]amino]pentanoyl]amino]acetic acid
PubChem CID123896160
Molecular FormulaC16H28N4O6
Molecular Weight372.42 g/mol
Exact Mass372.20
IUPAC Name2-[[4-methyl-2-[[2-[(2-morpholin-4-ylacetyl)amino]acetyl]amino]pentanoyl]amino]acetic acid
SMILESCC(C)CC(NC(=O)CNC(=O)CN1CCOCC1)C(=O)NCC(=O)O
InChIInChI=1S/C16H28N4O6/c1-11(2)7-12(16(25)18-9-15(23)24)19-13(21)8-17-14(22)10-20-3-5-26-6-4-20/h11-12H,3-10H2,1-2H3,(H,17,22)(H,18,25)(H,19,21)(H,23,24)
InChIKeyVKWSXZGHJMJROX-UHFFFAOYSA-N
XLogP-1.83
TPSA137.07 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 5-1.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[[4-methyl-2-[[2-[(2-morpholin-4-ylacetyl)amino]acetyl]amino]pentanoyl]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-[[4-methyl-2-[[2-[(2-morpholin-4-ylacetyl)amino]acetyl]amino]pentanoyl]amino]acetic acid?
The IUPAC name of 2-[[4-methyl-2-[[2-[(2-morpholin-4-ylacetyl)amino]acetyl]amino]pentanoyl]amino]acetic acid (CID 123896160) is 2-[[4-methyl-2-[[2-[(2-morpholin-4-ylacetyl)amino]acetyl]amino]pentanoyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-methyl-2-[[2-[(2-morpholin-4-ylacetyl)amino]acetyl]amino]pentanoyl]amino]acetic acid?
The canonical SMILES for 2-[[4-methyl-2-[[2-[(2-morpholin-4-ylacetyl)amino]acetyl]amino]pentanoyl]amino]acetic acid is CC(C)CC(NC(=O)CNC(=O)CN1CCOCC1)C(=O)NCC(=O)O.
What is the InChIKey of 2-[[4-methyl-2-[[2-[(2-morpholin-4-ylacetyl)amino]acetyl]amino]pentanoyl]amino]acetic acid?
The InChIKey is VKWSXZGHJMJROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O6/c1-11(2)7-12(16(25)18-9-15(23)24)19-13(21)8-17-14(22)10-20-3-5-26-6-4-20/h11-12H,3-10H2,1-2H3,(H,17,22)(H,18,25)(H,19,21)(H,23,24).
What are the key properties of 2-[[4-methyl-2-[[2-[(2-morpholin-4-ylacetyl)amino]acetyl]amino]pentanoyl]amino]acetic acid?
2-[[4-methyl-2-[[2-[(2-morpholin-4-ylacetyl)amino]acetyl]amino]pentanoyl]amino]acetic acid has a molecular weight of 372.42 g/mol, XLogP of -1.83, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-methyl-2-[[2-[(2-morpholin-4-ylacetyl)amino]acetyl]amino]pentanoyl]amino]acetic acid is sourced from PubChem (CID 123896160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).