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

C13H26N2O4 — CID 55009806

IUPAC2-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)N(CC)C(C)COC)C(=O)O
InChIInChI=1S/C13H26N2O4/c1-6-8-13(4,11(16)17)14-12(18)15(7-2)10(3)9-19-5/h10H,6-9H2,1-5H3,(H,14,18)(H,16,17)
InChIKeyBJNFDSALYIIDDV-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.70
Rot. Bonds8

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

2-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpentanoic acid (PubChem CID 55009806) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpentanoic acid
PubChem CID55009806
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC Name2-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)N(CC)C(C)COC)C(=O)O
InChIInChI=1S/C13H26N2O4/c1-6-8-13(4,11(16)17)14-12(18)15(7-2)10(3)9-19-5/h10H,6-9H2,1-5H3,(H,14,18)(H,16,17)
InChIKeyBJNFDSALYIIDDV-UHFFFAOYSA-N
XLogP1.70
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 55009512
2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]-2-methylpentanoic acid
CID 79385556
2-[[2-methoxyethyl(pentan-3-yl)carbamoyl]amino]-2-methylbutanoic acid
CID 79801985
2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]-2-methylbutanoic acid
CID 79800977
2-(2,3-dimethylpentanoylamino)-2-methylpentanoic acid
CID 120517032
3-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 62668669
2-methyl-2-(2-methylbutanoylamino)pentanoic acid
CID 43618557
N-ethyl-N-(1-methoxypropan-2-yl)-2-methyl-2-(methylamino)propanamide
CID 62846708
2-methyl-2-(3-propan-2-yloxypropanoylamino)pentanoic acid
CID 119191930
2-methyl-2-(3-propoxypropanoylamino)pentanoic acid
CID 55104107
2-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]-4-methoxybutanoic acid
CID 62472882
2-methyl-2-(2-methylpropylamino)pentanoic acid
CID 43619509

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpentanoic acid?
The IUPAC name of 2-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpentanoic acid (CID 55009806) is 2-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpentanoic acid?
The canonical SMILES for 2-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpentanoic acid is CCCC(C)(NC(=O)N(CC)C(C)COC)C(=O)O.
What is the InChIKey of 2-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpentanoic acid?
The InChIKey is BJNFDSALYIIDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-6-8-13(4,11(16)17)14-12(18)15(7-2)10(3)9-19-5/h10H,6-9H2,1-5H3,(H,14,18)(H,16,17).
What are the key properties of 2-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpentanoic acid?
2-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpentanoic acid has a molecular weight of 274.36 g/mol, XLogP of 1.70, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpentanoic acid is sourced from PubChem (CID 55009806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).