2-[[butyl(2-hydroxyethyl)carbamoyl]-methylamino]-2-methylpropanoic acid

C12H24N2O4 — CID 62821665

IUPAC2-[[butyl(2-hydroxyethyl)carbamoyl]-methylamino]-2-methylpropanoic acid
SMILESCCCCN(CCO)C(=O)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C12H24N2O4/c1-5-6-7-14(8-9-15)11(18)13(4)12(2,3)10(16)17/h15H,5-9H2,1-4H3,(H,16,17)
InChIKeyFLJBCAHQDISROW-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.00
Rot. Bonds7

About 2-[[butyl(2-hydroxyethyl)carbamoyl]-methylamino]-2-methylpropanoic acid

2-[[butyl(2-hydroxyethyl)carbamoyl]-methylamino]-2-methylpropanoic acid (PubChem CID 62821665) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is 2-[[butyl(2-hydroxyethyl)carbamoyl]-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[butyl(2-hydroxyethyl)carbamoyl]-methylamino]-2-methylpropanoic acid
PubChem CID62821665
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name2-[[butyl(2-hydroxyethyl)carbamoyl]-methylamino]-2-methylpropanoic acid
SMILESCCCCN(CCO)C(=O)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C12H24N2O4/c1-5-6-7-14(8-9-15)11(18)13(4)12(2,3)10(16)17/h15H,5-9H2,1-4H3,(H,16,17)
InChIKeyFLJBCAHQDISROW-UHFFFAOYSA-N
XLogP1.00
TPSA81.08 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 ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[bis(2-methoxyethyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 62820777
3-[[butyl(2-hydroxyethyl)carbamoyl]-ethylamino]propanoic acid
CID 61447698
2-[[butyl(2-hydroxyethyl)carbamoyl]amino]-2-methylpentanoic acid
CID 61447381
4-[butyl(2-hydroxyethyl)amino]-2,2-diethyl-4-oxobutanoic acid
CID 54875034
N-butyl-N',N'-bis(2-hydroxyethyl)-N-propyloxamide
CID 108509852
2-[[ethyl(methyl)carbamoyl]-methylamino]-2-methylpropanoic acid
CID 62820937
N-(2-hydroxyethyl)-2,2-dimethyl-N-pentylpropanamide
CID 59440869
3-amino-N-butyl-N-(2-hydroxyethyl)-3-methylbutanamide
CID 64684879
2-[heptanoyl(methyl)amino]-2-methylpropanoic acid
CID 62817407
1,1-dibutyl-3-methyl-3-sulfanylurea
CID 88793941
4-[[butyl(2-hydroxyethyl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 61447544
3-[[butyl(2-hydroxyethyl)carbamoyl]-cyclopropylamino]propanoic acid
CID 61447426

Frequently Asked Questions

What is the IUPAC name of 2-[[butyl(2-hydroxyethyl)carbamoyl]-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[[butyl(2-hydroxyethyl)carbamoyl]-methylamino]-2-methylpropanoic acid (CID 62821665) is 2-[[butyl(2-hydroxyethyl)carbamoyl]-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[butyl(2-hydroxyethyl)carbamoyl]-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[butyl(2-hydroxyethyl)carbamoyl]-methylamino]-2-methylpropanoic acid is CCCCN(CCO)C(=O)N(C)C(C)(C)C(=O)O.
What is the InChIKey of 2-[[butyl(2-hydroxyethyl)carbamoyl]-methylamino]-2-methylpropanoic acid?
The InChIKey is FLJBCAHQDISROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-5-6-7-14(8-9-15)11(18)13(4)12(2,3)10(16)17/h15H,5-9H2,1-4H3,(H,16,17).
What are the key properties of 2-[[butyl(2-hydroxyethyl)carbamoyl]-methylamino]-2-methylpropanoic acid?
2-[[butyl(2-hydroxyethyl)carbamoyl]-methylamino]-2-methylpropanoic acid has a molecular weight of 260.33 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butyl(2-hydroxyethyl)carbamoyl]-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62821665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).