4-(2,3-dimethylbutylcarbamoylamino)-2-hydroxybutanoic acid

C11H22N2O4 — CID 107840202

IUPAC4-(2,3-dimethylbutylcarbamoylamino)-2-hydroxybutanoic acid
SMILESCC(C)C(C)CNC(=O)NCCC(O)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-7(2)8(3)6-13-11(17)12-5-4-9(14)10(15)16/h7-9,14H,4-6H2,1-3H3,(H,15,16)(H2,12,13,17)
InChIKeyFRMWBDSJDITFAF-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.41
Rot. Bonds7

About 4-(2,3-dimethylbutylcarbamoylamino)-2-hydroxybutanoic acid

4-(2,3-dimethylbutylcarbamoylamino)-2-hydroxybutanoic acid (PubChem CID 107840202) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-(2,3-dimethylbutylcarbamoylamino)-2-hydroxybutanoic acid.

Molecular Properties

Compound Name4-(2,3-dimethylbutylcarbamoylamino)-2-hydroxybutanoic acid
PubChem CID107840202
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name4-(2,3-dimethylbutylcarbamoylamino)-2-hydroxybutanoic acid
SMILESCC(C)C(C)CNC(=O)NCCC(O)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-7(2)8(3)6-13-11(17)12-5-4-9(14)10(15)16/h7-9,14H,4-6H2,1-3H3,(H,15,16)(H2,12,13,17)
InChIKeyFRMWBDSJDITFAF-UHFFFAOYSA-N
XLogP0.41
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-hydroxy-3-(3-methylbutylcarbamoylamino)propanoic acid
CID 107837964
(2S)-4-(2-cyclopropylpropylcarbamoylamino)-2-hydroxybutanoic acid
CID 107841065
(2S)-2-hydroxy-4-[[3-(2-methylpropylamino)-3-oxopropyl]carbamoylamino]butanoic acid
CID 107840936
3-(2,3-dimethylbutylcarbamoylamino)-2-methylpropanoic acid
CID 64597206
4-(3,3-dimethylbutan-2-ylcarbamoylamino)-2-hydroxybutanoic acid
CID 107841000
4-(3,3-dimethylbutylcarbamoylamino)-2-hydroxybutanoic acid
CID 107841235
4-[[3-(ethylamino)-3-oxopropyl]carbamoylamino]-2-hydroxybutanoic acid
CID 107840927
(2S)-4-[2-(diethylamino)ethylcarbamoylamino]-2-hydroxybutanoic acid
CID 114007114
(2S)-2-hydroxy-4-(octylcarbamoylamino)butanoic acid
CID 107840685
2-hydroxy-3-(4-methylpentylcarbamoylamino)propanoic acid
CID 66166957
4-[[(2S)-2-aminopropanoyl]amino]-2-hydroxybutanoic acid
CID 107836163
(2S)-4-[(2-amino-2-oxoethyl)carbamoylamino]-2-hydroxybutanoic acid
CID 107837805

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylbutylcarbamoylamino)-2-hydroxybutanoic acid?
The IUPAC name of 4-(2,3-dimethylbutylcarbamoylamino)-2-hydroxybutanoic acid (CID 107840202) is 4-(2,3-dimethylbutylcarbamoylamino)-2-hydroxybutanoic acid.
What is the SMILES notation for 4-(2,3-dimethylbutylcarbamoylamino)-2-hydroxybutanoic acid?
The canonical SMILES for 4-(2,3-dimethylbutylcarbamoylamino)-2-hydroxybutanoic acid is CC(C)C(C)CNC(=O)NCCC(O)C(=O)O.
What is the InChIKey of 4-(2,3-dimethylbutylcarbamoylamino)-2-hydroxybutanoic acid?
The InChIKey is FRMWBDSJDITFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-7(2)8(3)6-13-11(17)12-5-4-9(14)10(15)16/h7-9,14H,4-6H2,1-3H3,(H,15,16)(H2,12,13,17).
What are the key properties of 4-(2,3-dimethylbutylcarbamoylamino)-2-hydroxybutanoic acid?
4-(2,3-dimethylbutylcarbamoylamino)-2-hydroxybutanoic acid has a molecular weight of 246.31 g/mol, XLogP of 0.41, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylbutylcarbamoylamino)-2-hydroxybutanoic acid is sourced from PubChem (CID 107840202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).