4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid

C14H25NO6 — CID 91473800

IUPAC4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid
SMILESCC(C)(C)OC(=O)N(CCCC(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO6/c1-13(2,3)20-11(18)15(9-7-8-10(16)17)12(19)21-14(4,5)6/h7-9H2,1-6H3,(H,16,17)
InChIKeyRGISUMGZXKIQRB-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.02
Rot. Bonds4

About 4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid

4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid (PubChem CID 91473800) has the molecular formula C14H25NO6 and a molecular weight of 303.36 g/mol. Its IUPAC name is 4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid
PubChem CID91473800
Molecular FormulaC14H25NO6
Molecular Weight303.36 g/mol
Exact Mass303.17
IUPAC Name4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid
SMILESCC(C)(C)OC(=O)N(CCCC(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO6/c1-13(2,3)20-11(18)15(9-7-8-10(16)17)12(19)21-14(4,5)6/h7-9H2,1-6H3,(H,16,17)
InChIKeyRGISUMGZXKIQRB-UHFFFAOYSA-N
XLogP3.02
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid?
The IUPAC name of 4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid (CID 91473800) is 4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid.
What is the SMILES notation for 4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid?
The canonical SMILES for 4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid is CC(C)(C)OC(=O)N(CCCC(=O)O)C(=O)OC(C)(C)C.
What is the InChIKey of 4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid?
The InChIKey is RGISUMGZXKIQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO6/c1-13(2,3)20-11(18)15(9-7-8-10(16)17)12(19)21-14(4,5)6/h7-9H2,1-6H3,(H,16,17).
What are the key properties of 4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid?
4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid has a molecular weight of 303.36 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid is sourced from PubChem (CID 91473800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).