3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]-2,2-dimethylpropanoic acid

C13H27N3O3 — CID 113308075

IUPAC3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]-2,2-dimethylpropanoic acid
SMILESCN(C)CC(C)(C)CNC(=O)NCC(C)(C)C(=O)O
InChIInChI=1S/C13H27N3O3/c1-12(2,9-16(5)6)7-14-11(19)15-8-13(3,4)10(17)18/h7-9H2,1-6H3,(H,17,18)(H2,14,15,19)
InChIKeyQUCMETXRNXYKMD-UHFFFAOYSA-N
MW273.38 g/mol
LogP0.98
Rot. Bonds7

About 3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]-2,2-dimethylpropanoic acid

3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]-2,2-dimethylpropanoic acid (PubChem CID 113308075) has the molecular formula C13H27N3O3 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]-2,2-dimethylpropanoic acid
PubChem CID113308075
Molecular FormulaC13H27N3O3
Molecular Weight273.38 g/mol
Exact Mass273.21
IUPAC Name3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]-2,2-dimethylpropanoic acid
SMILESCN(C)CC(C)(C)CNC(=O)NCC(C)(C)C(=O)O
InChIInChI=1S/C13H27N3O3/c1-12(2,9-16(5)6)7-14-11(19)15-8-13(3,4)10(17)18/h7-9H2,1-6H3,(H,17,18)(H2,14,15,19)
InChIKeyQUCMETXRNXYKMD-UHFFFAOYSA-N
XLogP0.98
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(dimethylamino)ethylcarbamoylamino]-2,2-dimethylpropanoic acid
CID 115428255
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
(2S)-2-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]propanoic acid
CID 78967764
4-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]-2-methylbutanoic acid
CID 80540539
4-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76991892
N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide
CID 59842400
5-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]-5-oxopentanoic acid
CID 28931577
2,2-dimethyl-3-(2,2,3-trimethylbutylcarbamoylamino)propanoic acid
CID 114101334
2-[carboxymethyl-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]amino]acetic acid
CID 63646436
2,2-dimethyl-3-(2-methylprop-2-enylcarbamoylamino)propanoic acid
CID 114618034
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylprop-2-enamide
CID 3018570

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]-2,2-dimethylpropanoic acid (CID 113308075) is 3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]-2,2-dimethylpropanoic acid is CN(C)CC(C)(C)CNC(=O)NCC(C)(C)C(=O)O.
What is the InChIKey of 3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]-2,2-dimethylpropanoic acid?
The InChIKey is QUCMETXRNXYKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3/c1-12(2,9-16(5)6)7-14-11(19)15-8-13(3,4)10(17)18/h7-9H2,1-6H3,(H,17,18)(H2,14,15,19).
What are the key properties of 3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]-2,2-dimethylpropanoic acid?
3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]-2,2-dimethylpropanoic acid has a molecular weight of 273.38 g/mol, XLogP of 0.98, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 113308075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).