4-(dimethylcarbamoylamino)-2-hydroxybutanoic acid

C7H14N2O4 — CID 104936189

IUPAC4-(dimethylcarbamoylamino)-2-hydroxybutanoic acid
SMILESCN(C)C(=O)NCCC(O)C(=O)O
InChIInChI=1S/C7H14N2O4/c1-9(2)7(13)8-4-3-5(10)6(11)12/h5,10H,3-4H2,1-2H3,(H,8,13)(H,11,12)
InChIKeyRPTMLYCEEKYFGT-UHFFFAOYSA-N
MW190.20 g/mol
LogP-0.91
Rot. Bonds4

About 4-(dimethylcarbamoylamino)-2-hydroxybutanoic acid

4-(dimethylcarbamoylamino)-2-hydroxybutanoic acid (PubChem CID 104936189) has the molecular formula C7H14N2O4 and a molecular weight of 190.20 g/mol. Its IUPAC name is 4-(dimethylcarbamoylamino)-2-hydroxybutanoic acid.

Molecular Properties

Compound Name4-(dimethylcarbamoylamino)-2-hydroxybutanoic acid
PubChem CID104936189
Molecular FormulaC7H14N2O4
Molecular Weight190.20 g/mol
Exact Mass190.10
IUPAC Name4-(dimethylcarbamoylamino)-2-hydroxybutanoic acid
SMILESCN(C)C(=O)NCCC(O)C(=O)O
InChIInChI=1S/C7H14N2O4/c1-9(2)7(13)8-4-3-5(10)6(11)12/h5,10H,3-4H2,1-2H3,(H,8,13)(H,11,12)
InChIKeyRPTMLYCEEKYFGT-UHFFFAOYSA-N
XLogP-0.91
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-2-hydroxybutanoic acid
CID 107839988
4-[[3-(dimethylamino)-3-oxopropyl]carbamoylamino]-2-hydroxybutanoic acid
CID 114007416
(2S)-4-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-hydroxybutanoic acid
CID 107839136
4-(2-ethylbutanoylamino)-2-hydroxybutanoic acid
CID 107832641
(2S)-4-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-hydroxybutanoic acid
CID 107839519
(2S)-4-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107838520
(2S)-2-hydroxy-4-[[2-hydroxyethyl(pentan-3-yl)carbamoyl]amino]butanoic acid
CID 114007355
(2S)-4-[[benzyl(methyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 104934154
(2S)-4-[[1-cyanopropan-2-yl(methyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107839895
(2S)-4-[[cyclopentylmethyl(methyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107839972
(2S)-2-hydroxy-4-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid
CID 107840583
4-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107838341

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylcarbamoylamino)-2-hydroxybutanoic acid?
The IUPAC name of 4-(dimethylcarbamoylamino)-2-hydroxybutanoic acid (CID 104936189) is 4-(dimethylcarbamoylamino)-2-hydroxybutanoic acid.
What is the SMILES notation for 4-(dimethylcarbamoylamino)-2-hydroxybutanoic acid?
The canonical SMILES for 4-(dimethylcarbamoylamino)-2-hydroxybutanoic acid is CN(C)C(=O)NCCC(O)C(=O)O.
What is the InChIKey of 4-(dimethylcarbamoylamino)-2-hydroxybutanoic acid?
The InChIKey is RPTMLYCEEKYFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O4/c1-9(2)7(13)8-4-3-5(10)6(11)12/h5,10H,3-4H2,1-2H3,(H,8,13)(H,11,12).
What are the key properties of 4-(dimethylcarbamoylamino)-2-hydroxybutanoic acid?
4-(dimethylcarbamoylamino)-2-hydroxybutanoic acid has a molecular weight of 190.20 g/mol, XLogP of -0.91, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylcarbamoylamino)-2-hydroxybutanoic acid is sourced from PubChem (CID 104936189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).