2-hydroxy-2-methyl-3-(2-methylprop-2-enylcarbamoylamino)propanoic acid

C9H16N2O4 — CID 114618091

IUPAC2-hydroxy-2-methyl-3-(2-methylprop-2-enylcarbamoylamino)propanoic acid
SMILESC=C(C)CNC(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C9H16N2O4/c1-6(2)4-10-8(14)11-5-9(3,15)7(12)13/h15H,1,4-5H2,2-3H3,(H,12,13)(H2,10,11,14)
InChIKeyLNXXYANUQRLEQM-UHFFFAOYSA-N
MW216.24 g/mol
LogP-0.30
Rot. Bonds5

About 2-hydroxy-2-methyl-3-(2-methylprop-2-enylcarbamoylamino)propanoic acid

2-hydroxy-2-methyl-3-(2-methylprop-2-enylcarbamoylamino)propanoic acid (PubChem CID 114618091) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-(2-methylprop-2-enylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-(2-methylprop-2-enylcarbamoylamino)propanoic acid
PubChem CID114618091
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name2-hydroxy-2-methyl-3-(2-methylprop-2-enylcarbamoylamino)propanoic acid
SMILESC=C(C)CNC(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C9H16N2O4/c1-6(2)4-10-8(14)11-5-9(3,15)7(12)13/h15H,1,4-5H2,2-3H3,(H,12,13)(H2,10,11,14)
InChIKeyLNXXYANUQRLEQM-UHFFFAOYSA-N
XLogP-0.30
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
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

2,2-dimethyl-3-(2-methylprop-2-enylcarbamoylamino)propanoic acid
CID 114618034
2-hydroxy-3-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-methylpropanoic acid
CID 66173456
2-hydroxy-2-methyl-3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]propanoic acid
CID 66176562
3-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66176563
2-methyl-2-(2-methylprop-2-enylcarbamoylamino)propanoic acid
CID 24693363
2-hydroxy-3-[2-(2-methoxyethoxy)ethylcarbamoylamino]-2-methylpropanoic acid
CID 66175532
3-[3-(ethylamino)propylcarbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66177839
3-(but-3-ynylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid
CID 66175324
2-hydroxy-2-methyl-3-(2,4,4-trimethylpentan-2-ylcarbamoylamino)propanoic acid
CID 66177435
2-hydroxy-2-methyl-3-(2-methylbut-3-yn-2-ylcarbamoylamino)propanoic acid
CID 66175118
3-(butan-2-ylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid
CID 66173440
2-hydroxy-2-methyl-3-(4-methylhexan-2-ylcarbamoylamino)propanoic acid
CID 66177031

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-(2-methylprop-2-enylcarbamoylamino)propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-(2-methylprop-2-enylcarbamoylamino)propanoic acid (CID 114618091) is 2-hydroxy-2-methyl-3-(2-methylprop-2-enylcarbamoylamino)propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-(2-methylprop-2-enylcarbamoylamino)propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-(2-methylprop-2-enylcarbamoylamino)propanoic acid is C=C(C)CNC(=O)NCC(C)(O)C(=O)O.
What is the InChIKey of 2-hydroxy-2-methyl-3-(2-methylprop-2-enylcarbamoylamino)propanoic acid?
The InChIKey is LNXXYANUQRLEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-6(2)4-10-8(14)11-5-9(3,15)7(12)13/h15H,1,4-5H2,2-3H3,(H,12,13)(H2,10,11,14).
What are the key properties of 2-hydroxy-2-methyl-3-(2-methylprop-2-enylcarbamoylamino)propanoic acid?
2-hydroxy-2-methyl-3-(2-methylprop-2-enylcarbamoylamino)propanoic acid has a molecular weight of 216.24 g/mol, XLogP of -0.30, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-3-(2-methylprop-2-enylcarbamoylamino)propanoic acid is sourced from PubChem (CID 114618091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).