2,2-dimethyl-3-(2-methylprop-2-enylcarbamoylamino)propanoic acid

C10H18N2O3 — CID 114618034

IUPAC2,2-dimethyl-3-(2-methylprop-2-enylcarbamoylamino)propanoic acid
SMILESC=C(C)CNC(=O)NCC(C)(C)C(=O)O
InChIInChI=1S/C10H18N2O3/c1-7(2)5-11-9(15)12-6-10(3,4)8(13)14/h1,5-6H2,2-4H3,(H,13,14)(H2,11,12,15)
InChIKeyOYJUDGSMEWABOC-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.97
Rot. Bonds5

About 2,2-dimethyl-3-(2-methylprop-2-enylcarbamoylamino)propanoic acid

2,2-dimethyl-3-(2-methylprop-2-enylcarbamoylamino)propanoic acid (PubChem CID 114618034) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-methylprop-2-enylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-methylprop-2-enylcarbamoylamino)propanoic acid
PubChem CID114618034
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2,2-dimethyl-3-(2-methylprop-2-enylcarbamoylamino)propanoic acid
SMILESC=C(C)CNC(=O)NCC(C)(C)C(=O)O
InChIInChI=1S/C10H18N2O3/c1-7(2)5-11-9(15)12-6-10(3,4)8(13)14/h1,5-6H2,2-4H3,(H,13,14)(H2,11,12,15)
InChIKeyOYJUDGSMEWABOC-UHFFFAOYSA-N
XLogP0.97
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-2-methyl-3-(2-methylprop-2-enylcarbamoylamino)propanoic acid
CID 114618091
2-methyl-2-(2-methylprop-2-enylcarbamoylamino)propanoic acid
CID 24693363
3-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-2,2-dimethylpropanoic acid
CID 115428434
3-[(2-ethoxy-2-oxoethyl)carbamoylamino]-2,2-dimethylpropanoic acid
CID 115428456
2,2-dimethyl-3-(2,2,3-trimethylbutylcarbamoylamino)propanoic acid
CID 114101334
3-(2,4-dimethylpent-4-enoylamino)-2,2-dimethylpropanoic acid
CID 120687904
3-[(2-acetamidoacetyl)amino]-2,2-dimethylpropanoic acid
CID 115427067
3-[2-(dimethylamino)ethylcarbamoylamino]-2,2-dimethylpropanoic acid
CID 115428255
3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]-2,2-dimethylpropanoic acid
CID 113308075
2,2-dimethyl-3-(pentylcarbamoylamino)propanoic acid
CID 115428270
2,2-dimethyl-N-(2-methylprop-2-enyl)butanamide
CID 114618641
3-(hexylcarbamoylamino)-2,2-dimethylpropanoic acid
CID 115428854

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2-methylprop-2-enylcarbamoylamino)propanoic acid?
The IUPAC name of 2,2-dimethyl-3-(2-methylprop-2-enylcarbamoylamino)propanoic acid (CID 114618034) is 2,2-dimethyl-3-(2-methylprop-2-enylcarbamoylamino)propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-(2-methylprop-2-enylcarbamoylamino)propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-(2-methylprop-2-enylcarbamoylamino)propanoic acid is C=C(C)CNC(=O)NCC(C)(C)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-(2-methylprop-2-enylcarbamoylamino)propanoic acid?
The InChIKey is OYJUDGSMEWABOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-7(2)5-11-9(15)12-6-10(3,4)8(13)14/h1,5-6H2,2-4H3,(H,13,14)(H2,11,12,15).
What are the key properties of 2,2-dimethyl-3-(2-methylprop-2-enylcarbamoylamino)propanoic acid?
2,2-dimethyl-3-(2-methylprop-2-enylcarbamoylamino)propanoic acid has a molecular weight of 214.26 g/mol, XLogP of 0.97, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-methylprop-2-enylcarbamoylamino)propanoic acid is sourced from PubChem (CID 114618034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).