(2R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]butanoic acid

C13H25NO4 — CID 89026241

IUPAC(2R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]butanoic acid
SMILESCCCN(CC[C@@H](C)C(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C13H25NO4/c1-6-8-14(9-7-10(2)11(15)16)12(17)18-13(3,4)5/h10H,6-9H2,1-5H3,(H,15,16)/t10-/m1/s1
InChIKeyWEOGVWUQDFGBCC-SNVBAGLBSA-N
MW259.35 g/mol
LogP2.74
Rot. Bonds6

About (2R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]butanoic acid

(2R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]butanoic acid (PubChem CID 89026241) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is (2R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]butanoic acid.

Molecular Properties

Compound Name(2R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]butanoic acid
PubChem CID89026241
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Name(2R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]butanoic acid
SMILESCCCN(CC[C@@H](C)C(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C13H25NO4/c1-6-8-14(9-7-10(2)11(15)16)12(17)18-13(3,4)5/h10H,6-9H2,1-5H3,(H,15,16)/t10-/m1/s1
InChIKeyWEOGVWUQDFGBCC-SNVBAGLBSA-N
XLogP2.74
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]butanoic acid?
The IUPAC name of (2R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]butanoic acid (CID 89026241) is (2R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]butanoic acid.
What is the SMILES notation for (2R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]butanoic acid?
The canonical SMILES for (2R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]butanoic acid is CCCN(CC[C@@H](C)C(=O)O)C(=O)OC(C)(C)C.
What is the InChIKey of (2R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]butanoic acid?
The InChIKey is WEOGVWUQDFGBCC-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H25NO4/c1-6-8-14(9-7-10(2)11(15)16)12(17)18-13(3,4)5/h10H,6-9H2,1-5H3,(H,15,16)/t10-/m1/s1.
What are the key properties of (2R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]butanoic acid?
(2R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]butanoic acid has a molecular weight of 259.35 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]butanoic acid is sourced from PubChem (CID 89026241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).