3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-2,2-dimethyl-3-oxopropanoic acid

C12H24N2O3 — CID 82812631

IUPAC3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-2,2-dimethyl-3-oxopropanoic acid
SMILESCN(C)CC(C)(C)CNC(=O)C(C)(C)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-11(2,8-14(5)6)7-13-9(15)12(3,4)10(16)17/h7-8H2,1-6H3,(H,13,15)(H,16,17)
InChIKeyABSSZMPNYFTVJD-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.80
Rot. Bonds6

About 3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-2,2-dimethyl-3-oxopropanoic acid

3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-2,2-dimethyl-3-oxopropanoic acid (PubChem CID 82812631) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-2,2-dimethyl-3-oxopropanoic acid.

Molecular Properties

Compound Name3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-2,2-dimethyl-3-oxopropanoic acid
PubChem CID82812631
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-2,2-dimethyl-3-oxopropanoic acid
SMILESCN(C)CC(C)(C)CNC(=O)C(C)(C)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-11(2,8-14(5)6)7-13-9(15)12(3,4)10(16)17/h7-8H2,1-6H3,(H,13,15)(H,16,17)
InChIKeyABSSZMPNYFTVJD-UHFFFAOYSA-N
XLogP0.80
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylpropanamide;dihydrochloride
CID 119828440
3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]-2,2-dimethylpropanoic acid
CID 113308075
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(ethylamino)-2-methylpropanamide
CID 62832837
2-[carboxymethyl-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]amino]acetic acid
CID 63646436
N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide
CID 59842400
2-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]-2-methylbutanoic acid
CID 79798346
tert-butyl N-[3-(dimethylamino)-2,2-dimethylpropyl]carbamate
CID 65142819
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylprop-2-enamide
CID 3018570
3-[3-(dimethylamino)-2,2-dimethylpropyl]-1,1-diethylurea
CID 104624160
2-carbamothioyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylbutanamide
CID 113270438
2-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl-methylamino]propanoic acid
CID 62637361
(2S)-2-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]propanoic acid
CID 78967764

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-2,2-dimethyl-3-oxopropanoic acid?
The IUPAC name of 3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-2,2-dimethyl-3-oxopropanoic acid (CID 82812631) is 3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-2,2-dimethyl-3-oxopropanoic acid.
What is the SMILES notation for 3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-2,2-dimethyl-3-oxopropanoic acid?
The canonical SMILES for 3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-2,2-dimethyl-3-oxopropanoic acid is CN(C)CC(C)(C)CNC(=O)C(C)(C)C(=O)O.
What is the InChIKey of 3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-2,2-dimethyl-3-oxopropanoic acid?
The InChIKey is ABSSZMPNYFTVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-11(2,8-14(5)6)7-13-9(15)12(3,4)10(16)17/h7-8H2,1-6H3,(H,13,15)(H,16,17).
What are the key properties of 3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-2,2-dimethyl-3-oxopropanoic acid?
3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-2,2-dimethyl-3-oxopropanoic acid has a molecular weight of 244.33 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-2,2-dimethyl-3-oxopropanoic acid is sourced from PubChem (CID 82812631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).