2-[1-(diethylamino)propan-2-ylamino]-2-methylbutanoic acid

C12H26N2O2 — CID 114991056

IUPAC2-[1-(diethylamino)propan-2-ylamino]-2-methylbutanoic acid
SMILESCCN(CC)CC(C)NC(C)(CC)C(=O)O
InChIInChI=1S/C12H26N2O2/c1-6-12(5,11(15)16)13-10(4)9-14(7-2)8-3/h10,13H,6-9H2,1-5H3,(H,15,16)
InChIKeyXRGXUQDWSVHKKM-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.56
Rot. Bonds8

About 2-[1-(diethylamino)propan-2-ylamino]-2-methylbutanoic acid

2-[1-(diethylamino)propan-2-ylamino]-2-methylbutanoic acid (PubChem CID 114991056) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-[1-(diethylamino)propan-2-ylamino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[1-(diethylamino)propan-2-ylamino]-2-methylbutanoic acid
PubChem CID114991056
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name2-[1-(diethylamino)propan-2-ylamino]-2-methylbutanoic acid
SMILESCCN(CC)CC(C)NC(C)(CC)C(=O)O
InChIInChI=1S/C12H26N2O2/c1-6-12(5,11(15)16)13-10(4)9-14(7-2)8-3/h10,13H,6-9H2,1-5H3,(H,15,16)
InChIKeyXRGXUQDWSVHKKM-UHFFFAOYSA-N
XLogP1.56
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(diethylamino)propan-2-ylamino]-2,2-dimethylpropanoic acid
CID 79623860
2-cyclopropyl-2-[1-(diethylamino)propan-2-ylamino]propanoic acid
CID 114991783
1-N,1-N-diethyl-2-N-(3-methylpentan-3-yl)propane-1,2-diamine
CID 166937808
2-N-tert-butyl-1-N,1-N-diethylpropane-1,2-diamine
CID 126758240
2-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-2-methylbutanoic acid
CID 79789393
2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-2-methylbutanoic acid
CID 78971336
2-(butan-2-ylamino)-2-methyl-3-sulfanylpropanoic acid;dihydrochloride
CID 174469242
2-bromo-N-[1-(diethylamino)propan-2-yl]-2-methylpropanamide
CID 114328559
2-[[2-hydroxypropyl(methyl)carbamoyl]amino]-2-methylbutanoic acid
CID 79800841
2-methyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]butanoic acid
CID 79800950
(2S)-2-acetamido-2-methylbutanoic acid
CID 71355971
2-(tert-butylamino)-N-[1-(diethylamino)propan-2-yl]acetamide
CID 78986835

Frequently Asked Questions

What is the IUPAC name of 2-[1-(diethylamino)propan-2-ylamino]-2-methylbutanoic acid?
The IUPAC name of 2-[1-(diethylamino)propan-2-ylamino]-2-methylbutanoic acid (CID 114991056) is 2-[1-(diethylamino)propan-2-ylamino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[1-(diethylamino)propan-2-ylamino]-2-methylbutanoic acid?
The canonical SMILES for 2-[1-(diethylamino)propan-2-ylamino]-2-methylbutanoic acid is CCN(CC)CC(C)NC(C)(CC)C(=O)O.
What is the InChIKey of 2-[1-(diethylamino)propan-2-ylamino]-2-methylbutanoic acid?
The InChIKey is XRGXUQDWSVHKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-6-12(5,11(15)16)13-10(4)9-14(7-2)8-3/h10,13H,6-9H2,1-5H3,(H,15,16).
What are the key properties of 2-[1-(diethylamino)propan-2-ylamino]-2-methylbutanoic acid?
2-[1-(diethylamino)propan-2-ylamino]-2-methylbutanoic acid has a molecular weight of 230.35 g/mol, XLogP of 1.56, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(diethylamino)propan-2-ylamino]-2-methylbutanoic acid is sourced from PubChem (CID 114991056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).