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

C15H27NO6 — CID 175182168

IUPAC2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
SMILESCCCC(C(=O)O)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H27NO6/c1-8-9-10(11(17)18)16(12(19)21-14(2,3)4)13(20)22-15(5,6)7/h10H,8-9H2,1-7H3,(H,17,18)
InChIKeyCBEOPVOUPYHCLI-UHFFFAOYSA-N
MW317.38 g/mol
LogP3.41
Rot. Bonds4

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

2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid (PubChem CID 175182168) has the molecular formula C15H27NO6 and a molecular weight of 317.38 g/mol. Its IUPAC name is 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
PubChem CID175182168
Molecular FormulaC15H27NO6
Molecular Weight317.38 g/mol
Exact Mass317.18
IUPAC Name2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
SMILESCCCC(C(=O)O)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H27NO6/c1-8-9-10(11(17)18)16(12(19)21-14(2,3)4)13(20)22-15(5,6)7/h10H,8-9H2,1-7H3,(H,17,18)
InChIKeyCBEOPVOUPYHCLI-UHFFFAOYSA-N
XLogP3.41
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid?
The IUPAC name of 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid (CID 175182168) is 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid.
What is the SMILES notation for 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid?
The canonical SMILES for 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid is CCCC(C(=O)O)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid?
The InChIKey is CBEOPVOUPYHCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO6/c1-8-9-10(11(17)18)16(12(19)21-14(2,3)4)13(20)22-15(5,6)7/h10H,8-9H2,1-7H3,(H,17,18).
What are the key properties of 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid?
2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid has a molecular weight of 317.38 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid is sourced from PubChem (CID 175182168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).