4-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-hydroxybutanoic acid

C11H22N2O4 — CID 107838341

IUPAC4-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-hydroxybutanoic acid
SMILESCCN(CC(C)C)C(=O)NCCC(O)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-4-13(7-8(2)3)11(17)12-6-5-9(14)10(15)16/h8-9,14H,4-7H2,1-3H3,(H,12,17)(H,15,16)
InChIKeyWFRYOUBGHCFIOY-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.51
Rot. Bonds7

About 4-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-hydroxybutanoic acid

4-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-hydroxybutanoic acid (PubChem CID 107838341) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-hydroxybutanoic acid
PubChem CID107838341
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name4-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-hydroxybutanoic acid
SMILESCCN(CC(C)C)C(=O)NCCC(O)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-4-13(7-8(2)3)11(17)12-6-5-9(14)10(15)16/h8-9,14H,4-7H2,1-3H3,(H,12,17)(H,15,16)
InChIKeyWFRYOUBGHCFIOY-UHFFFAOYSA-N
XLogP0.51
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-hydroxy-4-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]butanoic acid
CID 114007339
3-[ethyl(3-methylbutylcarbamoyl)amino]-2-methylpropanoic acid
CID 62852278
4-[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]-2-hydroxybutanoic acid
CID 107839151
4-[[ethyl(2-methoxyethyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107838885
4-[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107839223
(2S)-4-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-hydroxybutanoic acid
CID 107839519
2-[ethyl(3-methylbutylcarbamoyl)amino]acetic acid
CID 61184764
1,1-diethyl-3-(3-hydroxybutyl)urea
CID 79161473
4-(dimethylcarbamoylamino)-2-hydroxybutanoic acid
CID 104936189
(2S)-4-[[cyclopentyl(2-methylpropyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107840486
4-[[cyclopentyl(2-methylpropyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107840485
3-[ethyl(3-methylsulfanylbutylcarbamoyl)amino]-2-methylpropanoic acid
CID 113494161

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-hydroxybutanoic acid?
The IUPAC name of 4-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-hydroxybutanoic acid (CID 107838341) is 4-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-hydroxybutanoic acid.
What is the SMILES notation for 4-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-hydroxybutanoic acid?
The canonical SMILES for 4-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-hydroxybutanoic acid is CCN(CC(C)C)C(=O)NCCC(O)C(=O)O.
What is the InChIKey of 4-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-hydroxybutanoic acid?
The InChIKey is WFRYOUBGHCFIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-4-13(7-8(2)3)11(17)12-6-5-9(14)10(15)16/h8-9,14H,4-7H2,1-3H3,(H,12,17)(H,15,16).
What are the key properties of 4-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-hydroxybutanoic acid?
4-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-hydroxybutanoic acid has a molecular weight of 246.31 g/mol, XLogP of 0.51, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-hydroxybutanoic acid is sourced from PubChem (CID 107838341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).