2-[[butyl(2-hydroxyethyl)carbamoyl]amino]-2-methylpentanoic acid

C13H26N2O4 — CID 61447381

IUPAC2-[[butyl(2-hydroxyethyl)carbamoyl]amino]-2-methylpentanoic acid
SMILESCCCCN(CCO)C(=O)NC(C)(CCC)C(=O)O
InChIInChI=1S/C13H26N2O4/c1-4-6-8-15(9-10-16)12(19)14-13(3,7-5-2)11(17)18/h16H,4-10H2,1-3H3,(H,14,19)(H,17,18)
InChIKeyTXIANXFXEPRJSL-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.43
Rot. Bonds9

About 2-[[butyl(2-hydroxyethyl)carbamoyl]amino]-2-methylpentanoic acid

2-[[butyl(2-hydroxyethyl)carbamoyl]amino]-2-methylpentanoic acid (PubChem CID 61447381) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-[[butyl(2-hydroxyethyl)carbamoyl]amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[[butyl(2-hydroxyethyl)carbamoyl]amino]-2-methylpentanoic acid
PubChem CID61447381
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC Name2-[[butyl(2-hydroxyethyl)carbamoyl]amino]-2-methylpentanoic acid
SMILESCCCCN(CCO)C(=O)NC(C)(CCC)C(=O)O
InChIInChI=1S/C13H26N2O4/c1-4-6-8-15(9-10-16)12(19)14-13(3,7-5-2)11(17)18/h16H,4-10H2,1-3H3,(H,14,19)(H,17,18)
InChIKeyTXIANXFXEPRJSL-UHFFFAOYSA-N
XLogP1.43
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dibutylcarbamoylamino)-2-methylbutanoic acid
CID 79798187
2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]-2-methylpentanoic acid
CID 79385556
1,1-dibutyl-3-tert-butylurea
CID 11413547
3-(dibutylcarbamoylamino)-2,2,3-trimethylbutanoic acid
CID 65266173
3-[[butyl(2-hydroxyethyl)carbamoyl]-ethylamino]propanoic acid
CID 61447698
1-butyl-1-(2-hydroxyethyl)-3-propan-2-ylurea
CID 60781183
2-[[butyl(2-hydroxyethyl)carbamoyl]-methylamino]-2-methylpropanoic acid
CID 62821665
3-(dibutylcarbamoylamino)-2,2-dimethylpropanoic acid
CID 115428326
2-(butylcarbamoylamino)-2-methylpentanoic acid
CID 43619164
1-hexadecyl-1-(2-hydroxyethyl)-3-methylurea
CID 88673985
6-[[butyl(2-hydroxyethyl)carbamoyl]amino]hexanoic acid
CID 61447424
6-amino-N-butyl-N-(2-hydroxyethyl)-4,4-dimethylhexanamide
CID 65290826

Frequently Asked Questions

What is the IUPAC name of 2-[[butyl(2-hydroxyethyl)carbamoyl]amino]-2-methylpentanoic acid?
The IUPAC name of 2-[[butyl(2-hydroxyethyl)carbamoyl]amino]-2-methylpentanoic acid (CID 61447381) is 2-[[butyl(2-hydroxyethyl)carbamoyl]amino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[[butyl(2-hydroxyethyl)carbamoyl]amino]-2-methylpentanoic acid?
The canonical SMILES for 2-[[butyl(2-hydroxyethyl)carbamoyl]amino]-2-methylpentanoic acid is CCCCN(CCO)C(=O)NC(C)(CCC)C(=O)O.
What is the InChIKey of 2-[[butyl(2-hydroxyethyl)carbamoyl]amino]-2-methylpentanoic acid?
The InChIKey is TXIANXFXEPRJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-4-6-8-15(9-10-16)12(19)14-13(3,7-5-2)11(17)18/h16H,4-10H2,1-3H3,(H,14,19)(H,17,18).
What are the key properties of 2-[[butyl(2-hydroxyethyl)carbamoyl]amino]-2-methylpentanoic acid?
2-[[butyl(2-hydroxyethyl)carbamoyl]amino]-2-methylpentanoic acid has a molecular weight of 274.36 g/mol, XLogP of 1.43, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butyl(2-hydroxyethyl)carbamoyl]amino]-2-methylpentanoic acid is sourced from PubChem (CID 61447381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).