2-[dimethylaminocarbamoyl(methyl)amino]-2-methylpropanoic acid

C8H17N3O3 — CID 83017661

IUPAC2-[dimethylaminocarbamoyl(methyl)amino]-2-methylpropanoic acid
SMILESCN(C)NC(=O)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C8H17N3O3/c1-8(2,6(12)13)11(5)7(14)9-10(3)4/h1-5H3,(H,9,14)(H,12,13)
InChIKeyZMPWBVPKOMGRRL-UHFFFAOYSA-N
MW203.24 g/mol
LogP-0.03
Rot. Bonds3

About 2-[dimethylaminocarbamoyl(methyl)amino]-2-methylpropanoic acid

2-[dimethylaminocarbamoyl(methyl)amino]-2-methylpropanoic acid (PubChem CID 83017661) has the molecular formula C8H17N3O3 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-[dimethylaminocarbamoyl(methyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[dimethylaminocarbamoyl(methyl)amino]-2-methylpropanoic acid
PubChem CID83017661
Molecular FormulaC8H17N3O3
Molecular Weight203.24 g/mol
Exact Mass203.13
IUPAC Name2-[dimethylaminocarbamoyl(methyl)amino]-2-methylpropanoic acid
SMILESCN(C)NC(=O)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C8H17N3O3/c1-8(2,6(12)13)11(5)7(14)9-10(3)4/h1-5H3,(H,9,14)(H,12,13)
InChIKeyZMPWBVPKOMGRRL-UHFFFAOYSA-N
XLogP-0.03
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-2-[methyl(2-methylprop-2-enylcarbamoyl)amino]propanoic acid
CID 114618106
2-[2,3-dimethylbutylcarbamoyl(methyl)amino]-2-methylpropanoic acid
CID 64599223
2-[(2-amino-2-methylpropanoyl)-methylamino]-2-methylpropanoic acid
CID 62819720
2-[cyclopentylmethylcarbamoyl(methyl)amino]-2-methylpropanoic acid
CID 62820411
2-[4-methoxybutan-2-ylcarbamoyl(methyl)amino]-2-methylpropanoic acid
CID 64603274
2-[[2-(tert-butylamino)acetyl]-methylamino]-2-methylpropanoic acid
CID 79257129
2-[(3-acetamidophenyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 62820562
2-methyl-2-[methyl-[(4-methylsulfanylphenyl)carbamoyl]amino]propanoic acid
CID 62822129
2-methyl-2-[methyl(octan-2-ylcarbamoyl)amino]propanoic acid
CID 62821500
2-[2-cyclohexylethylcarbamoyl(methyl)amino]-2-methylpropanoic acid
CID 55123701
2-methyl-2-[methyl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanoic acid
CID 62821086
2-[(2-acetamidoacetyl)-methylamino]-2-methylpropanoic acid
CID 62819507

Frequently Asked Questions

What is the IUPAC name of 2-[dimethylaminocarbamoyl(methyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[dimethylaminocarbamoyl(methyl)amino]-2-methylpropanoic acid (CID 83017661) is 2-[dimethylaminocarbamoyl(methyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[dimethylaminocarbamoyl(methyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[dimethylaminocarbamoyl(methyl)amino]-2-methylpropanoic acid is CN(C)NC(=O)N(C)C(C)(C)C(=O)O.
What is the InChIKey of 2-[dimethylaminocarbamoyl(methyl)amino]-2-methylpropanoic acid?
The InChIKey is ZMPWBVPKOMGRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O3/c1-8(2,6(12)13)11(5)7(14)9-10(3)4/h1-5H3,(H,9,14)(H,12,13).
What are the key properties of 2-[dimethylaminocarbamoyl(methyl)amino]-2-methylpropanoic acid?
2-[dimethylaminocarbamoyl(methyl)amino]-2-methylpropanoic acid has a molecular weight of 203.24 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dimethylaminocarbamoyl(methyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 83017661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).