2-[[2-methoxyethyl(pentan-3-yl)carbamoyl]amino]-2-methylbutanoic acid

C14H28N2O4 — CID 79801985

IUPAC2-[[2-methoxyethyl(pentan-3-yl)carbamoyl]amino]-2-methylbutanoic acid
SMILESCCC(CC)N(CCOC)C(=O)NC(C)(CC)C(=O)O
InChIInChI=1S/C14H28N2O4/c1-6-11(7-2)16(9-10-20-5)13(19)15-14(4,8-3)12(17)18/h11H,6-10H2,1-5H3,(H,15,19)(H,17,18)
InChIKeyWZBCIZDPJAKINE-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.09
Rot. Bonds9

About 2-[[2-methoxyethyl(pentan-3-yl)carbamoyl]amino]-2-methylbutanoic acid

2-[[2-methoxyethyl(pentan-3-yl)carbamoyl]amino]-2-methylbutanoic acid (PubChem CID 79801985) has the molecular formula C14H28N2O4 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[[2-methoxyethyl(pentan-3-yl)carbamoyl]amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[[2-methoxyethyl(pentan-3-yl)carbamoyl]amino]-2-methylbutanoic acid
PubChem CID79801985
Molecular FormulaC14H28N2O4
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name2-[[2-methoxyethyl(pentan-3-yl)carbamoyl]amino]-2-methylbutanoic acid
SMILESCCC(CC)N(CCOC)C(=O)NC(C)(CC)C(=O)O
InChIInChI=1S/C14H28N2O4/c1-6-11(7-2)16(9-10-20-5)13(19)15-14(4,8-3)12(17)18/h11H,6-10H2,1-5H3,(H,15,19)(H,17,18)
InChIKeyWZBCIZDPJAKINE-UHFFFAOYSA-N
XLogP2.09
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]-2-methylbutanoic acid
CID 79800977
2-[2-methoxyethyl(pentan-3-yl)amino]-2-methylpropanoic acid
CID 114996787
2-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpentanoic acid
CID 55009806
2-(methoxycarbonylamino)-2-methylbutanoic acid
CID 79792133
2-bromo-N-(2-methoxyethyl)-N-pentan-3-ylbutanamide
CID 62855963
2-(dibutylcarbamoylamino)-2-methylbutanoic acid
CID 79798187
2-methyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
CID 79801521
2-[(2-amino-4-methoxybutanoyl)amino]-2-methylbutanoic acid
CID 79798220
2-[[2-hydroxyethyl(pentan-3-yl)carbamoyl]amino]-5-methoxypentanoic acid
CID 81085055
2-[[cyclopropyl(methyl)carbamoyl]amino]-2-methylbutanoic acid
CID 79801490
N-(2-methoxyethyl)-N-pentan-3-yl-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924232
N-(2-methoxyethyl)-2-methyl-3-(methylamino)-N-pentan-3-ylpropanamide;hydrochloride
CID 119729632

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methoxyethyl(pentan-3-yl)carbamoyl]amino]-2-methylbutanoic acid?
The IUPAC name of 2-[[2-methoxyethyl(pentan-3-yl)carbamoyl]amino]-2-methylbutanoic acid (CID 79801985) is 2-[[2-methoxyethyl(pentan-3-yl)carbamoyl]amino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[[2-methoxyethyl(pentan-3-yl)carbamoyl]amino]-2-methylbutanoic acid?
The canonical SMILES for 2-[[2-methoxyethyl(pentan-3-yl)carbamoyl]amino]-2-methylbutanoic acid is CCC(CC)N(CCOC)C(=O)NC(C)(CC)C(=O)O.
What is the InChIKey of 2-[[2-methoxyethyl(pentan-3-yl)carbamoyl]amino]-2-methylbutanoic acid?
The InChIKey is WZBCIZDPJAKINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4/c1-6-11(7-2)16(9-10-20-5)13(19)15-14(4,8-3)12(17)18/h11H,6-10H2,1-5H3,(H,15,19)(H,17,18).
What are the key properties of 2-[[2-methoxyethyl(pentan-3-yl)carbamoyl]amino]-2-methylbutanoic acid?
2-[[2-methoxyethyl(pentan-3-yl)carbamoyl]amino]-2-methylbutanoic acid has a molecular weight of 288.39 g/mol, XLogP of 2.09, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methoxyethyl(pentan-3-yl)carbamoyl]amino]-2-methylbutanoic acid is sourced from PubChem (CID 79801985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).