2,2,3-trimethyl-3-[[3-oxo-3-(propan-2-ylamino)propyl]amino]butanoic acid

C13H26N2O3 — CID 65265112

IUPAC2,2,3-trimethyl-3-[[3-oxo-3-(propan-2-ylamino)propyl]amino]butanoic acid
SMILESCC(C)NC(=O)CCNC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C13H26N2O3/c1-9(2)15-10(16)7-8-14-13(5,6)12(3,4)11(17)18/h9,14H,7-8H2,1-6H3,(H,15,16)(H,17,18)
InChIKeyQPOQENHKZFIGAY-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.38
Rot. Bonds7

About 2,2,3-trimethyl-3-[[3-oxo-3-(propan-2-ylamino)propyl]amino]butanoic acid

2,2,3-trimethyl-3-[[3-oxo-3-(propan-2-ylamino)propyl]amino]butanoic acid (PubChem CID 65265112) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-[[3-oxo-3-(propan-2-ylamino)propyl]amino]butanoic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-3-[[3-oxo-3-(propan-2-ylamino)propyl]amino]butanoic acid
PubChem CID65265112
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2,2,3-trimethyl-3-[[3-oxo-3-(propan-2-ylamino)propyl]amino]butanoic acid
SMILESCC(C)NC(=O)CCNC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C13H26N2O3/c1-9(2)15-10(16)7-8-14-13(5,6)12(3,4)11(17)18/h9,14H,7-8H2,1-6H3,(H,15,16)(H,17,18)
InChIKeyQPOQENHKZFIGAY-UHFFFAOYSA-N
XLogP1.38
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,3-trimethyl-3-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]butanoic acid
CID 65263700
3-(2,2-dimethylpropylamino)-N-propan-2-ylpropanamide
CID 62625182
2,2,3-trimethyl-3-(propan-2-ylcarbamoylamino)butanoic acid
CID 65266300
3-[(2-methylpropan-2-yl)oxyamino]-N-propan-2-ylpropanamide
CID 82723324
2,2,3-trimethyl-3-[2-(2-methylpropoxy)ethylamino]butanoic acid
CID 106454728
3,3-dimethyl-2-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoyl]butanoic acid
CID 116537453
2-methyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanoic acid
CID 61339960
(2S)-2-[3-(tert-butylamino)propanoylamino]-3-methylbutanoic acid
CID 61174193
2-cyclopropyl-2-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]propanoic acid
CID 103995660
3-(methoxyamino)-N-propan-2-ylpropanamide
CID 60970227
5-oxo-2-propan-2-yl-5-(propan-2-ylamino)pentanoic acid
CID 112515283
(2S)-2-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]butanoic acid
CID 103995647

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-3-[[3-oxo-3-(propan-2-ylamino)propyl]amino]butanoic acid?
The IUPAC name of 2,2,3-trimethyl-3-[[3-oxo-3-(propan-2-ylamino)propyl]amino]butanoic acid (CID 65265112) is 2,2,3-trimethyl-3-[[3-oxo-3-(propan-2-ylamino)propyl]amino]butanoic acid.
What is the SMILES notation for 2,2,3-trimethyl-3-[[3-oxo-3-(propan-2-ylamino)propyl]amino]butanoic acid?
The canonical SMILES for 2,2,3-trimethyl-3-[[3-oxo-3-(propan-2-ylamino)propyl]amino]butanoic acid is CC(C)NC(=O)CCNC(C)(C)C(C)(C)C(=O)O.
What is the InChIKey of 2,2,3-trimethyl-3-[[3-oxo-3-(propan-2-ylamino)propyl]amino]butanoic acid?
The InChIKey is QPOQENHKZFIGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-9(2)15-10(16)7-8-14-13(5,6)12(3,4)11(17)18/h9,14H,7-8H2,1-6H3,(H,15,16)(H,17,18).
What are the key properties of 2,2,3-trimethyl-3-[[3-oxo-3-(propan-2-ylamino)propyl]amino]butanoic acid?
2,2,3-trimethyl-3-[[3-oxo-3-(propan-2-ylamino)propyl]amino]butanoic acid has a molecular weight of 258.36 g/mol, XLogP of 1.38, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-3-[[3-oxo-3-(propan-2-ylamino)propyl]amino]butanoic acid is sourced from PubChem (CID 65265112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).