2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]-2-methylpentanoic acid

C12H24N2O4 — CID 54946892

IUPAC2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)N(C)C(C)COC)C(=O)O
InChIInChI=1S/C12H24N2O4/c1-6-7-12(3,10(15)16)13-11(17)14(4)9(2)8-18-5/h9H,6-8H2,1-5H3,(H,13,17)(H,15,16)
InChIKeyYSZZPILHRCTPOF-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.31
Rot. Bonds7

About 2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]-2-methylpentanoic acid

2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]-2-methylpentanoic acid (PubChem CID 54946892) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is 2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]-2-methylpentanoic acid
PubChem CID54946892
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)N(C)C(C)COC)C(=O)O
InChIInChI=1S/C12H24N2O4/c1-6-7-12(3,10(15)16)13-11(17)14(4)9(2)8-18-5/h9H,6-8H2,1-5H3,(H,13,17)(H,15,16)
InChIKeyYSZZPILHRCTPOF-UHFFFAOYSA-N
XLogP1.31
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]-2-methylpentanoic acid?
The IUPAC name of 2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]-2-methylpentanoic acid (CID 54946892) is 2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]-2-methylpentanoic acid?
The canonical SMILES for 2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]-2-methylpentanoic acid is CCCC(C)(NC(=O)N(C)C(C)COC)C(=O)O.
What is the InChIKey of 2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]-2-methylpentanoic acid?
The InChIKey is YSZZPILHRCTPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-6-7-12(3,10(15)16)13-11(17)14(4)9(2)8-18-5/h9H,6-8H2,1-5H3,(H,13,17)(H,15,16).
What are the key properties of 2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]-2-methylpentanoic acid?
2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]-2-methylpentanoic acid has a molecular weight of 260.33 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]-2-methylpentanoic acid is sourced from PubChem (CID 54946892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).