(2R)-4-hydroxy-2-(methylcarbamoylamino)butanoic acid

C6H12N2O4 — CID 91507162

IUPAC(2R)-4-hydroxy-2-(methylcarbamoylamino)butanoic acid
SMILESCNC(=O)N[C@H](CCO)C(=O)O
InChIInChI=1S/C6H12N2O4/c1-7-6(12)8-4(2-3-9)5(10)11/h4,9H,2-3H2,1H3,(H,10,11)(H2,7,8,12)/t4-/m1/s1
InChIKeyLOSSYWPGWBVWFP-SCSAIBSYSA-N
MW176.17 g/mol
LogP-1.25
Rot. Bonds4

About (2R)-4-hydroxy-2-(methylcarbamoylamino)butanoic acid

(2R)-4-hydroxy-2-(methylcarbamoylamino)butanoic acid (PubChem CID 91507162) has the molecular formula C6H12N2O4 and a molecular weight of 176.17 g/mol. Its IUPAC name is (2R)-4-hydroxy-2-(methylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name(2R)-4-hydroxy-2-(methylcarbamoylamino)butanoic acid
PubChem CID91507162
Molecular FormulaC6H12N2O4
Molecular Weight176.17 g/mol
Exact Mass176.08
IUPAC Name(2R)-4-hydroxy-2-(methylcarbamoylamino)butanoic acid
SMILESCNC(=O)N[C@H](CCO)C(=O)O
InChIInChI=1S/C6H12N2O4/c1-7-6(12)8-4(2-3-9)5(10)11/h4,9H,2-3H2,1H3,(H,10,11)(H2,7,8,12)/t4-/m1/s1
InChIKeyLOSSYWPGWBVWFP-SCSAIBSYSA-N
XLogP-1.25
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 5-1.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-hydroxy-2-[[3-(methylamino)-3-oxopropyl]carbamoylamino]butanoic acid
CID 107827283
2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-4-hydroxybutanoic acid
CID 61227753
(2R)-4-hydroxy-2-(prop-2-ynylcarbamoylamino)butanoic acid
CID 107825465
(2S)-4-hydroxy-2-(3-methylpentan-3-ylcarbamoylamino)butanoic acid
CID 106330722
(2S)-4-hydroxy-2-[2-(methylamino)propanoylamino]butanoic acid
CID 107824746
6-(methylamino)-2-(methylcarbamoylamino)hexanoic acid
CID 20593439
2-(but-3-yn-2-ylcarbamoylamino)-4-hydroxybutanoic acid
CID 114418413
(2S)-4-hydroxy-2-(2-methylpentan-3-ylcarbamoylamino)butanoic acid
CID 107826796
4-hydroxy-2-(2-methylprop-2-enylcarbamoylamino)butanoic acid
CID 114618138
(2S)-2-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoylamino]-4-hydroxybutanoic acid
CID 107827322
(2R)-4-hydroxy-2-[2-(methylsulfamoyl)ethylcarbamoylamino]butanoic acid
CID 106340659
(2S)-4-hydroxy-2-[2-(methylsulfamoyl)ethylcarbamoylamino]butanoic acid
CID 114175731

Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-2-(methylcarbamoylamino)butanoic acid?
The IUPAC name of (2R)-4-hydroxy-2-(methylcarbamoylamino)butanoic acid (CID 91507162) is (2R)-4-hydroxy-2-(methylcarbamoylamino)butanoic acid.
What is the SMILES notation for (2R)-4-hydroxy-2-(methylcarbamoylamino)butanoic acid?
The canonical SMILES for (2R)-4-hydroxy-2-(methylcarbamoylamino)butanoic acid is CNC(=O)N[C@H](CCO)C(=O)O.
What is the InChIKey of (2R)-4-hydroxy-2-(methylcarbamoylamino)butanoic acid?
The InChIKey is LOSSYWPGWBVWFP-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H12N2O4/c1-7-6(12)8-4(2-3-9)5(10)11/h4,9H,2-3H2,1H3,(H,10,11)(H2,7,8,12)/t4-/m1/s1.
What are the key properties of (2R)-4-hydroxy-2-(methylcarbamoylamino)butanoic acid?
(2R)-4-hydroxy-2-(methylcarbamoylamino)butanoic acid has a molecular weight of 176.17 g/mol, XLogP of -1.25, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-hydroxy-2-(methylcarbamoylamino)butanoic acid is sourced from PubChem (CID 91507162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).