2-methylpropyl 1-[2-[(2-amino-3-methylbutanoyl)amino]propanoyl]diazinane-3-carboxylate

C17H32N4O4 — CID 123165659

IUPAC2-methylpropyl 1-[2-[(2-amino-3-methylbutanoyl)amino]propanoyl]diazinane-3-carboxylate
SMILESCC(C)COC(=O)C1CCCN(C(=O)C(C)NC(=O)C(N)C(C)C)N1
InChIInChI=1S/C17H32N4O4/c1-10(2)9-25-17(24)13-7-6-8-21(20-13)16(23)12(5)19-15(22)14(18)11(3)4/h10-14,20H,6-9,18H2,1-5H3,(H,19,22)
InChIKeyFOZZIZQBLXHVAS-UHFFFAOYSA-N
MW356.47 g/mol
LogP0.17
Rot. Bonds7

About 2-methylpropyl 1-[2-[(2-amino-3-methylbutanoyl)amino]propanoyl]diazinane-3-carboxylate

2-methylpropyl 1-[2-[(2-amino-3-methylbutanoyl)amino]propanoyl]diazinane-3-carboxylate (PubChem CID 123165659) has the molecular formula C17H32N4O4 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-methylpropyl 1-[2-[(2-amino-3-methylbutanoyl)amino]propanoyl]diazinane-3-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 1-[2-[(2-amino-3-methylbutanoyl)amino]propanoyl]diazinane-3-carboxylate
PubChem CID123165659
Molecular FormulaC17H32N4O4
Molecular Weight356.47 g/mol
Exact Mass356.24
IUPAC Name2-methylpropyl 1-[2-[(2-amino-3-methylbutanoyl)amino]propanoyl]diazinane-3-carboxylate
SMILESCC(C)COC(=O)C1CCCN(C(=O)C(C)NC(=O)C(N)C(C)C)N1
InChIInChI=1S/C17H32N4O4/c1-10(2)9-25-17(24)13-7-6-8-21(20-13)16(23)12(5)19-15(22)14(18)11(3)4/h10-14,20H,6-9,18H2,1-5H3,(H,19,22)
InChIKeyFOZZIZQBLXHVAS-UHFFFAOYSA-N
XLogP0.17
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 1-[2-[(2-amino-3-methylbutanoyl)amino]propanoyl]diazinane-3-carboxylate?
The IUPAC name of 2-methylpropyl 1-[2-[(2-amino-3-methylbutanoyl)amino]propanoyl]diazinane-3-carboxylate (CID 123165659) is 2-methylpropyl 1-[2-[(2-amino-3-methylbutanoyl)amino]propanoyl]diazinane-3-carboxylate.
What is the SMILES notation for 2-methylpropyl 1-[2-[(2-amino-3-methylbutanoyl)amino]propanoyl]diazinane-3-carboxylate?
The canonical SMILES for 2-methylpropyl 1-[2-[(2-amino-3-methylbutanoyl)amino]propanoyl]diazinane-3-carboxylate is CC(C)COC(=O)C1CCCN(C(=O)C(C)NC(=O)C(N)C(C)C)N1.
What is the InChIKey of 2-methylpropyl 1-[2-[(2-amino-3-methylbutanoyl)amino]propanoyl]diazinane-3-carboxylate?
The InChIKey is FOZZIZQBLXHVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O4/c1-10(2)9-25-17(24)13-7-6-8-21(20-13)16(23)12(5)19-15(22)14(18)11(3)4/h10-14,20H,6-9,18H2,1-5H3,(H,19,22).
What are the key properties of 2-methylpropyl 1-[2-[(2-amino-3-methylbutanoyl)amino]propanoyl]diazinane-3-carboxylate?
2-methylpropyl 1-[2-[(2-amino-3-methylbutanoyl)amino]propanoyl]diazinane-3-carboxylate has a molecular weight of 356.47 g/mol, XLogP of 0.17, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 1-[2-[(2-amino-3-methylbutanoyl)amino]propanoyl]diazinane-3-carboxylate is sourced from PubChem (CID 123165659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).