(2S)-4-(1-cyclobutylethylcarbamoylamino)-2-hydroxybutanoic acid

C11H20N2O4 — CID 107841213

IUPAC(2S)-4-(1-cyclobutylethylcarbamoylamino)-2-hydroxybutanoic acid
SMILESCC(NC(=O)NCC[C@H](O)C(=O)O)C1CCC1
InChIInChI=1S/C11H20N2O4/c1-7(8-3-2-4-8)13-11(17)12-6-5-9(14)10(15)16/h7-9,14H,2-6H2,1H3,(H,15,16)(H2,12,13,17)/t7?,9-/m0/s1
InChIKeyYHLBBXQOVSAYIG-NETXQHHPSA-N
MW244.29 g/mol
LogP0.31
Rot. Bonds6

About (2S)-4-(1-cyclobutylethylcarbamoylamino)-2-hydroxybutanoic acid

(2S)-4-(1-cyclobutylethylcarbamoylamino)-2-hydroxybutanoic acid (PubChem CID 107841213) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is (2S)-4-(1-cyclobutylethylcarbamoylamino)-2-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S)-4-(1-cyclobutylethylcarbamoylamino)-2-hydroxybutanoic acid
PubChem CID107841213
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name(2S)-4-(1-cyclobutylethylcarbamoylamino)-2-hydroxybutanoic acid
SMILESCC(NC(=O)NCC[C@H](O)C(=O)O)C1CCC1
InChIInChI=1S/C11H20N2O4/c1-7(8-3-2-4-8)13-11(17)12-6-5-9(14)10(15)16/h7-9,14H,2-6H2,1H3,(H,15,16)(H2,12,13,17)/t7?,9-/m0/s1
InChIKeyYHLBBXQOVSAYIG-NETXQHHPSA-N
XLogP0.31
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-cyclohexylethyl)-3-(3-hydroxybutyl)urea
CID 111507132
3-(1-cyclopentylethylcarbamoylamino)-2-hydroxypropanoic acid
CID 66166167
4-(1-cyclopropylethylcarbamoylamino)-2-methylbutanoic acid
CID 80540831
(2S)-2-hydroxy-4-[(4-methylcycloheptyl)carbamoylamino]butanoic acid
CID 114101260
(2S)-4-(2-cyclopropylpropylcarbamoylamino)-2-hydroxybutanoic acid
CID 107841065
(2S)-4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-2-hydroxybutanoic acid
CID 114007621
4-(3,3-dimethylbutan-2-ylcarbamoylamino)-2-hydroxybutanoic acid
CID 107841000
(2S)-2-hydroxy-4-(piperidin-4-ylcarbamoylamino)butanoic acid
CID 107838707
2-hydroxy-4-[(4-methylcyclohexyl)carbamoylamino]butanoic acid
CID 107838097
(2S)-4-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-2-hydroxybutanoic acid
CID 107838516
(2S)-2-hydroxy-4-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 107838972
4-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-2-hydroxybutanoic acid
CID 107839935

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(1-cyclobutylethylcarbamoylamino)-2-hydroxybutanoic acid?
The IUPAC name of (2S)-4-(1-cyclobutylethylcarbamoylamino)-2-hydroxybutanoic acid (CID 107841213) is (2S)-4-(1-cyclobutylethylcarbamoylamino)-2-hydroxybutanoic acid.
What is the SMILES notation for (2S)-4-(1-cyclobutylethylcarbamoylamino)-2-hydroxybutanoic acid?
The canonical SMILES for (2S)-4-(1-cyclobutylethylcarbamoylamino)-2-hydroxybutanoic acid is CC(NC(=O)NCC[C@H](O)C(=O)O)C1CCC1.
What is the InChIKey of (2S)-4-(1-cyclobutylethylcarbamoylamino)-2-hydroxybutanoic acid?
The InChIKey is YHLBBXQOVSAYIG-NETXQHHPSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-7(8-3-2-4-8)13-11(17)12-6-5-9(14)10(15)16/h7-9,14H,2-6H2,1H3,(H,15,16)(H2,12,13,17)/t7?,9-/m0/s1.
What are the key properties of (2S)-4-(1-cyclobutylethylcarbamoylamino)-2-hydroxybutanoic acid?
(2S)-4-(1-cyclobutylethylcarbamoylamino)-2-hydroxybutanoic acid has a molecular weight of 244.29 g/mol, XLogP of 0.31, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(1-cyclobutylethylcarbamoylamino)-2-hydroxybutanoic acid is sourced from PubChem (CID 107841213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).