2-methyl-2-(pentan-2-ylcarbamoylamino)butanoic acid

C11H22N2O3 — CID 79798870

IUPAC2-methyl-2-(pentan-2-ylcarbamoylamino)butanoic acid
SMILESCCCC(C)NC(=O)NC(C)(CC)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-5-7-8(3)12-10(16)13-11(4,6-2)9(14)15/h8H,5-7H2,1-4H3,(H,14,15)(H2,12,13,16)
InChIKeyXEPSNNGERUUPLU-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.73
Rot. Bonds6

About 2-methyl-2-(pentan-2-ylcarbamoylamino)butanoic acid

2-methyl-2-(pentan-2-ylcarbamoylamino)butanoic acid (PubChem CID 79798870) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-methyl-2-(pentan-2-ylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name2-methyl-2-(pentan-2-ylcarbamoylamino)butanoic acid
PubChem CID79798870
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-methyl-2-(pentan-2-ylcarbamoylamino)butanoic acid
SMILESCCCC(C)NC(=O)NC(C)(CC)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-5-7-8(3)12-10(16)13-11(4,6-2)9(14)15/h8H,5-7H2,1-4H3,(H,14,15)(H2,12,13,16)
InChIKeyXEPSNNGERUUPLU-UHFFFAOYSA-N
XLogP1.73
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-(4-methylsulfinylbutan-2-ylcarbamoylamino)pentanoic acid
CID 113493661
2-methyl-2-(2-methylpentan-3-ylcarbamoylamino)butanoic acid
CID 79800969
2-methyl-2-(3-methylhexanoylamino)butanoic acid
CID 119199351
(2S)-2-acetamido-2-methylbutanoic acid
CID 71355971
2-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]-2-methylpentanoic acid
CID 103997662
3,3,3-trifluoro-2-(hexan-2-ylcarbamoylamino)-2-methylpropanoic acid
CID 79801292
2-methyl-2-(nonylcarbamoylamino)butanoic acid
CID 43129072
2-(decylcarbamoylamino)-2-methylbutanoic acid
CID 63481197
2-[4-(2-aminoethyl)heptanoylamino]-2-methylbutanoic acid
CID 79798912
2-ethyl-2-(5-methylhexan-2-ylcarbamoylamino)butanoic acid
CID 79804080
2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-methylbutanoic acid
CID 79799154
2-(methoxycarbonylamino)-2-methylbutanoic acid
CID 79792133

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(pentan-2-ylcarbamoylamino)butanoic acid?
The IUPAC name of 2-methyl-2-(pentan-2-ylcarbamoylamino)butanoic acid (CID 79798870) is 2-methyl-2-(pentan-2-ylcarbamoylamino)butanoic acid.
What is the SMILES notation for 2-methyl-2-(pentan-2-ylcarbamoylamino)butanoic acid?
The canonical SMILES for 2-methyl-2-(pentan-2-ylcarbamoylamino)butanoic acid is CCCC(C)NC(=O)NC(C)(CC)C(=O)O.
What is the InChIKey of 2-methyl-2-(pentan-2-ylcarbamoylamino)butanoic acid?
The InChIKey is XEPSNNGERUUPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-5-7-8(3)12-10(16)13-11(4,6-2)9(14)15/h8H,5-7H2,1-4H3,(H,14,15)(H2,12,13,16).
What are the key properties of 2-methyl-2-(pentan-2-ylcarbamoylamino)butanoic acid?
2-methyl-2-(pentan-2-ylcarbamoylamino)butanoic acid has a molecular weight of 230.31 g/mol, XLogP of 1.73, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(pentan-2-ylcarbamoylamino)butanoic acid is sourced from PubChem (CID 79798870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).