3-(1-methoxypropan-2-ylcarbamoylamino)-2,2,3-trimethylbutanoic acid

C12H24N2O4 — CID 65266413

IUPAC3-(1-methoxypropan-2-ylcarbamoylamino)-2,2,3-trimethylbutanoic acid
SMILESCOCC(C)NC(=O)NC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C12H24N2O4/c1-8(7-18-6)13-10(17)14-12(4,5)11(2,3)9(15)16/h8H,7H2,1-6H3,(H,15,16)(H2,13,14,17)
InChIKeySDIXPBSMKUVOFD-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.21
Rot. Bonds6

About 3-(1-methoxypropan-2-ylcarbamoylamino)-2,2,3-trimethylbutanoic acid

3-(1-methoxypropan-2-ylcarbamoylamino)-2,2,3-trimethylbutanoic acid (PubChem CID 65266413) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is 3-(1-methoxypropan-2-ylcarbamoylamino)-2,2,3-trimethylbutanoic acid.

Molecular Properties

Compound Name3-(1-methoxypropan-2-ylcarbamoylamino)-2,2,3-trimethylbutanoic acid
PubChem CID65266413
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name3-(1-methoxypropan-2-ylcarbamoylamino)-2,2,3-trimethylbutanoic acid
SMILESCOCC(C)NC(=O)NC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C12H24N2O4/c1-8(7-18-6)13-10(17)14-12(4,5)11(2,3)9(15)16/h8H,7H2,1-6H3,(H,15,16)(H2,13,14,17)
InChIKeySDIXPBSMKUVOFD-UHFFFAOYSA-N
XLogP1.21
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2,2,3-trimethylbutanoic acid
CID 82949384
3-[4-(dimethylamino)butan-2-ylcarbamoylamino]-2,2,3-trimethylbutanoic acid
CID 65264235
3-(3-ethylpentan-2-ylcarbamoylamino)-2,2,3-trimethylbutanoic acid
CID 65265715
2,2,3-trimethyl-3-(2-methylpropylcarbamoylamino)butanoic acid
CID 65266119
3-[(2-methoxyacetyl)amino]-2,2,3-trimethylbutanoic acid
CID 65261289
2,2,3-trimethyl-3-(4-propan-2-yloxybutylcarbamoylamino)butanoic acid
CID 106004455
2,2,3-trimethyl-3-(octan-4-ylcarbamoylamino)butanoic acid
CID 106020545
2,2,3-trimethyl-3-[2-(2-methylpropoxy)ethylamino]butanoic acid
CID 106454728
2,2,3-trimethyl-3-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]butanoic acid
CID 65263810
4-(1-methoxypropan-2-ylcarbamoylamino)-2-methylbutanoic acid
CID 80540820
2-(1-ethoxypropan-2-ylcarbamoylamino)-2-ethylbutanoic acid
CID 79804072
(3R)-N-[(2S)-1-methoxypropan-2-yl]-3,4,4-trimethylpentanamide
CID 97019330

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxypropan-2-ylcarbamoylamino)-2,2,3-trimethylbutanoic acid?
The IUPAC name of 3-(1-methoxypropan-2-ylcarbamoylamino)-2,2,3-trimethylbutanoic acid (CID 65266413) is 3-(1-methoxypropan-2-ylcarbamoylamino)-2,2,3-trimethylbutanoic acid.
What is the SMILES notation for 3-(1-methoxypropan-2-ylcarbamoylamino)-2,2,3-trimethylbutanoic acid?
The canonical SMILES for 3-(1-methoxypropan-2-ylcarbamoylamino)-2,2,3-trimethylbutanoic acid is COCC(C)NC(=O)NC(C)(C)C(C)(C)C(=O)O.
What is the InChIKey of 3-(1-methoxypropan-2-ylcarbamoylamino)-2,2,3-trimethylbutanoic acid?
The InChIKey is SDIXPBSMKUVOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-8(7-18-6)13-10(17)14-12(4,5)11(2,3)9(15)16/h8H,7H2,1-6H3,(H,15,16)(H2,13,14,17).
What are the key properties of 3-(1-methoxypropan-2-ylcarbamoylamino)-2,2,3-trimethylbutanoic acid?
3-(1-methoxypropan-2-ylcarbamoylamino)-2,2,3-trimethylbutanoic acid has a molecular weight of 260.33 g/mol, XLogP of 1.21, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxypropan-2-ylcarbamoylamino)-2,2,3-trimethylbutanoic acid is sourced from PubChem (CID 65266413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).