3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl acetate

C11H21NO4 — CID 14480126

IUPAC3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl acetate
SMILESCC(=O)OCCCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO4/c1-9(13)15-8-6-7-12(5)10(14)16-11(2,3)4/h6-8H2,1-5H3
InChIKeyYTCZNMVSWCKNJQ-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.81
Rot. Bonds4

About 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl acetate

3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl acetate (PubChem CID 14480126) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl acetate.

Molecular Properties

Compound Name3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl acetate
PubChem CID14480126
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl acetate
SMILESCC(=O)OCCCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO4/c1-9(13)15-8-6-7-12(5)10(14)16-11(2,3)4/h6-8H2,1-5H3
InChIKeyYTCZNMVSWCKNJQ-UHFFFAOYSA-N
XLogP1.81
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl acetate?
The IUPAC name of 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl acetate (CID 14480126) is 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl acetate.
What is the SMILES notation for 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl acetate?
The canonical SMILES for 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl acetate is CC(=O)OCCCN(C)C(=O)OC(C)(C)C.
What is the InChIKey of 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl acetate?
The InChIKey is YTCZNMVSWCKNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-9(13)15-8-6-7-12(5)10(14)16-11(2,3)4/h6-8H2,1-5H3.
What are the key properties of 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl acetate?
3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl acetate has a molecular weight of 231.29 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl acetate is sourced from PubChem (CID 14480126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).