3-(3-ethylpentan-2-ylcarbamoylamino)-2,2,3-trimethylbutanoic acid

C15H30N2O3 — CID 65265715

IUPAC3-(3-ethylpentan-2-ylcarbamoylamino)-2,2,3-trimethylbutanoic acid
SMILESCCC(CC)C(C)NC(=O)NC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C15H30N2O3/c1-8-11(9-2)10(3)16-13(20)17-15(6,7)14(4,5)12(18)19/h10-11H,8-9H2,1-7H3,(H,18,19)(H2,16,17,20)
InChIKeyXBZKGLQPUVFGMI-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.00
Rot. Bonds7

About 3-(3-ethylpentan-2-ylcarbamoylamino)-2,2,3-trimethylbutanoic acid

3-(3-ethylpentan-2-ylcarbamoylamino)-2,2,3-trimethylbutanoic acid (PubChem CID 65265715) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 3-(3-ethylpentan-2-ylcarbamoylamino)-2,2,3-trimethylbutanoic acid.

Molecular Properties

Compound Name3-(3-ethylpentan-2-ylcarbamoylamino)-2,2,3-trimethylbutanoic acid
PubChem CID65265715
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name3-(3-ethylpentan-2-ylcarbamoylamino)-2,2,3-trimethylbutanoic acid
SMILESCCC(CC)C(C)NC(=O)NC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C15H30N2O3/c1-8-11(9-2)10(3)16-13(20)17-15(6,7)14(4,5)12(18)19/h10-11H,8-9H2,1-7H3,(H,18,19)(H2,16,17,20)
InChIKeyXBZKGLQPUVFGMI-UHFFFAOYSA-N
XLogP3.00
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,3-trimethyl-3-(propan-2-ylcarbamoylamino)butanoic acid
CID 65266300
3-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2,2,3-trimethylbutanoic acid
CID 82949384
3-(1-methoxypropan-2-ylcarbamoylamino)-2,2,3-trimethylbutanoic acid
CID 65266413
3-[4-(dimethylamino)butan-2-ylcarbamoylamino]-2,2,3-trimethylbutanoic acid
CID 65264235
2,2,3-trimethyl-3-(2-methylpropylcarbamoylamino)butanoic acid
CID 65266119
2,2,3-trimethyl-3-(octan-4-ylcarbamoylamino)butanoic acid
CID 106020545
3-[[butan-2-yl(methyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid
CID 65266474
2-[(3-ethylpentan-2-ylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid
CID 107474413
5-(3-ethylpentan-2-ylcarbamoylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 63838896
2-(3-ethylpentan-2-ylamino)-2-oxoacetic acid
CID 63836816
2,2,3-trimethyl-3-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]butanoic acid
CID 65263810
2-bromo-N-(3-ethylpentan-2-yl)-2-methylpropanamide
CID 114328721

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylpentan-2-ylcarbamoylamino)-2,2,3-trimethylbutanoic acid?
The IUPAC name of 3-(3-ethylpentan-2-ylcarbamoylamino)-2,2,3-trimethylbutanoic acid (CID 65265715) is 3-(3-ethylpentan-2-ylcarbamoylamino)-2,2,3-trimethylbutanoic acid.
What is the SMILES notation for 3-(3-ethylpentan-2-ylcarbamoylamino)-2,2,3-trimethylbutanoic acid?
The canonical SMILES for 3-(3-ethylpentan-2-ylcarbamoylamino)-2,2,3-trimethylbutanoic acid is CCC(CC)C(C)NC(=O)NC(C)(C)C(C)(C)C(=O)O.
What is the InChIKey of 3-(3-ethylpentan-2-ylcarbamoylamino)-2,2,3-trimethylbutanoic acid?
The InChIKey is XBZKGLQPUVFGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-8-11(9-2)10(3)16-13(20)17-15(6,7)14(4,5)12(18)19/h10-11H,8-9H2,1-7H3,(H,18,19)(H2,16,17,20).
What are the key properties of 3-(3-ethylpentan-2-ylcarbamoylamino)-2,2,3-trimethylbutanoic acid?
3-(3-ethylpentan-2-ylcarbamoylamino)-2,2,3-trimethylbutanoic acid has a molecular weight of 286.42 g/mol, XLogP of 3.00, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylpentan-2-ylcarbamoylamino)-2,2,3-trimethylbutanoic acid is sourced from PubChem (CID 65265715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).