4-hydroxy-2-(2-methylprop-2-enylcarbamoylamino)butanoic acid

C9H16N2O4 — CID 114618138

IUPAC4-hydroxy-2-(2-methylprop-2-enylcarbamoylamino)butanoic acid
SMILESC=C(C)CNC(=O)NC(CCO)C(=O)O
InChIInChI=1S/C9H16N2O4/c1-6(2)5-10-9(15)11-7(3-4-12)8(13)14/h7,12H,1,3-5H2,2H3,(H,13,14)(H2,10,11,15)
InChIKeyGFHILNZSULKYNR-UHFFFAOYSA-N
MW216.24 g/mol
LogP-0.30
Rot. Bonds6

About 4-hydroxy-2-(2-methylprop-2-enylcarbamoylamino)butanoic acid

4-hydroxy-2-(2-methylprop-2-enylcarbamoylamino)butanoic acid (PubChem CID 114618138) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is 4-hydroxy-2-(2-methylprop-2-enylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name4-hydroxy-2-(2-methylprop-2-enylcarbamoylamino)butanoic acid
PubChem CID114618138
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name4-hydroxy-2-(2-methylprop-2-enylcarbamoylamino)butanoic acid
SMILESC=C(C)CNC(=O)NC(CCO)C(=O)O
InChIInChI=1S/C9H16N2O4/c1-6(2)5-10-9(15)11-7(3-4-12)8(13)14/h7,12H,1,3-5H2,2H3,(H,13,14)(H2,10,11,15)
InChIKeyGFHILNZSULKYNR-UHFFFAOYSA-N
XLogP-0.30
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-0.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-(2-methylprop-2-enylcarbamoylamino)-5-oxopentanoic acid
CID 114618020
(2S)-5-amino-2-(2-methylprop-2-enylcarbamoylamino)-5-oxopentanoic acid
CID 104940138
(2S)-2-[(2-amino-2-oxoethyl)carbamoylamino]-4-hydroxybutanoic acid
CID 107825557
(2S)-4-hydroxy-2-[2-(2-methylprop-2-enoxy)ethylcarbamoylamino]butanoic acid
CID 107829318
(2S)-2-(2-methylprop-2-enylcarbamoylamino)-4-phenylbutanoic acid
CID 104983666
(2R)-4-hydroxy-2-(methylcarbamoylamino)butanoic acid
CID 91507162
(2R)-4-hydroxy-2-(prop-2-ynylcarbamoylamino)butanoic acid
CID 107825465
(2S)-4-hydroxy-2-[[3-(methylamino)-3-oxopropyl]carbamoylamino]butanoic acid
CID 107827283
(2S)-2-(but-3-enylcarbamoylamino)-4-hydroxybutanoic acid
CID 107828972
(2S)-4-hydroxy-2-(2,2,2-trifluoroethylcarbamoylamino)butanoic acid
CID 107823851
(2R)-4-hydroxy-2-[3-(methanesulfonamido)propylcarbamoylamino]butanoic acid
CID 106340386
4-hydroxy-2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]butanoic acid
CID 61408281

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(2-methylprop-2-enylcarbamoylamino)butanoic acid?
The IUPAC name of 4-hydroxy-2-(2-methylprop-2-enylcarbamoylamino)butanoic acid (CID 114618138) is 4-hydroxy-2-(2-methylprop-2-enylcarbamoylamino)butanoic acid.
What is the SMILES notation for 4-hydroxy-2-(2-methylprop-2-enylcarbamoylamino)butanoic acid?
The canonical SMILES for 4-hydroxy-2-(2-methylprop-2-enylcarbamoylamino)butanoic acid is C=C(C)CNC(=O)NC(CCO)C(=O)O.
What is the InChIKey of 4-hydroxy-2-(2-methylprop-2-enylcarbamoylamino)butanoic acid?
The InChIKey is GFHILNZSULKYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-6(2)5-10-9(15)11-7(3-4-12)8(13)14/h7,12H,1,3-5H2,2H3,(H,13,14)(H2,10,11,15).
What are the key properties of 4-hydroxy-2-(2-methylprop-2-enylcarbamoylamino)butanoic acid?
4-hydroxy-2-(2-methylprop-2-enylcarbamoylamino)butanoic acid has a molecular weight of 216.24 g/mol, XLogP of -0.30, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(2-methylprop-2-enylcarbamoylamino)butanoic acid is sourced from PubChem (CID 114618138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).