2-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl-methylamino]propanoic acid

C12H25N3O3 — CID 62637361

IUPAC2-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)NCC(C)(C)CN(C)C
InChIInChI=1S/C12H25N3O3/c1-9(10(16)17)15(6)11(18)13-7-12(2,3)8-14(4)5/h9H,7-8H2,1-6H3,(H,13,18)(H,16,17)
InChIKeyYMXIMUFHLFBDQY-UHFFFAOYSA-N
MW259.35 g/mol
LogP0.69
Rot. Bonds6

About 2-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl-methylamino]propanoic acid

2-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl-methylamino]propanoic acid (PubChem CID 62637361) has the molecular formula C12H25N3O3 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl-methylamino]propanoic acid
PubChem CID62637361
Molecular FormulaC12H25N3O3
Molecular Weight259.35 g/mol
Exact Mass259.19
IUPAC Name2-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)NCC(C)(C)CN(C)C
InChIInChI=1S/C12H25N3O3/c1-9(10(16)17)15(6)11(18)13-7-12(2,3)8-14(4)5/h9H,7-8H2,1-6H3,(H,13,18)(H,16,17)
InChIKeyYMXIMUFHLFBDQY-UHFFFAOYSA-N
XLogP0.69
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]propanoic acid
CID 78967764
2-[carboxymethyl-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]amino]acetic acid
CID 63646436
2-[butan-2-yl-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]amino]acetic acid
CID 61182248
3-[3-(dimethylamino)-2,2-dimethylpropyl]-1,1-diethylurea
CID 104624160
N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide
CID 59842400
4-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]-2-methylbutanoic acid
CID 80540539
2-[3-(dimethylamino)propylcarbamoyl-methylamino]propanoic acid
CID 62637183
2-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]-2-methylbutanoic acid
CID 79798346
3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82812631
2-[methyl(3,3,3-trifluoropropylcarbamoyl)amino]propanoic acid
CID 63227857
2-[methyl(2-methylprop-2-enylcarbamoyl)amino]propanoic acid
CID 114618116
3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]-2,2-dimethylpropanoic acid
CID 113308075

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl-methylamino]propanoic acid?
The IUPAC name of 2-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl-methylamino]propanoic acid (CID 62637361) is 2-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl-methylamino]propanoic acid.
What is the SMILES notation for 2-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl-methylamino]propanoic acid?
The canonical SMILES for 2-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl-methylamino]propanoic acid is CC(C(=O)O)N(C)C(=O)NCC(C)(C)CN(C)C.
What is the InChIKey of 2-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl-methylamino]propanoic acid?
The InChIKey is YMXIMUFHLFBDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3/c1-9(10(16)17)15(6)11(18)13-7-12(2,3)8-14(4)5/h9H,7-8H2,1-6H3,(H,13,18)(H,16,17).
What are the key properties of 2-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl-methylamino]propanoic acid?
2-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl-methylamino]propanoic acid has a molecular weight of 259.35 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl-methylamino]propanoic acid is sourced from PubChem (CID 62637361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).