(2,5-dioxopyrrolidin-1-yl) (2S)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate

C15H25N3O6 — CID 12876465

IUPAC(2,5-dioxopyrrolidin-1-yl) (2S)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
SMILESCC(C)(C)OC(=O)N[C@@H](CCCCN)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C15H25N3O6/c1-15(2,3)23-14(22)17-10(6-4-5-9-16)13(21)24-18-11(19)7-8-12(18)20/h10H,4-9,16H2,1-3H3,(H,17,22)/t10-/m0/s1
InChIKeyRKLPZHBCNFXHDS-JTQLQIEISA-N
MW343.38 g/mol
LogP0.62
Rot. Bonds7

About (2,5-dioxopyrrolidin-1-yl) (2S)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate

(2,5-dioxopyrrolidin-1-yl) (2S)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate (PubChem CID 12876465) has the molecular formula C15H25N3O6 and a molecular weight of 343.38 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) (2S)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) (2S)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
PubChem CID12876465
Molecular FormulaC15H25N3O6
Molecular Weight343.38 g/mol
Exact Mass343.17
IUPAC Name(2,5-dioxopyrrolidin-1-yl) (2S)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
SMILESCC(C)(C)OC(=O)N[C@@H](CCCCN)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C15H25N3O6/c1-15(2,3)23-14(22)17-10(6-4-5-9-16)13(21)24-18-11(19)7-8-12(18)20/h10H,4-9,16H2,1-3H3,(H,17,22)/t10-/m0/s1
InChIKeyRKLPZHBCNFXHDS-JTQLQIEISA-N
XLogP0.62
TPSA128.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (2,5-dioxopyrrolidin-1-yl) (2S)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate 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-dioxopyrrolidin-1-yl) (2S)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) (2S)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate (CID 12876465) is (2,5-dioxopyrrolidin-1-yl) (2S)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) (2S)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) (2S)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate is CC(C)(C)OC(=O)N[C@@H](CCCCN)C(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) (2S)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate?
The InChIKey is RKLPZHBCNFXHDS-JTQLQIEISA-N. The full InChI is InChI=1S/C15H25N3O6/c1-15(2,3)23-14(22)17-10(6-4-5-9-16)13(21)24-18-11(19)7-8-12(18)20/h10H,4-9,16H2,1-3H3,(H,17,22)/t10-/m0/s1.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) (2S)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate?
(2,5-dioxopyrrolidin-1-yl) (2S)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate has a molecular weight of 343.38 g/mol, XLogP of 0.62, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) (2S)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate is sourced from PubChem (CID 12876465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).