3-methyl-4-[[methyl(2-methylpropyl)carbamoyl]amino]butanoic acid

C11H22N2O3 — CID 81069762

IUPAC3-methyl-4-[[methyl(2-methylpropyl)carbamoyl]amino]butanoic acid
SMILESCC(C)CN(C)C(=O)NCC(C)CC(=O)O
InChIInChI=1S/C11H22N2O3/c1-8(2)7-13(4)11(16)12-6-9(3)5-10(14)15/h8-9H,5-7H2,1-4H3,(H,12,16)(H,14,15)
InChIKeyVOJUADYIDVIXOT-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.39
Rot. Bonds6

About 3-methyl-4-[[methyl(2-methylpropyl)carbamoyl]amino]butanoic acid

3-methyl-4-[[methyl(2-methylpropyl)carbamoyl]amino]butanoic acid (PubChem CID 81069762) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-methyl-4-[[methyl(2-methylpropyl)carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name3-methyl-4-[[methyl(2-methylpropyl)carbamoyl]amino]butanoic acid
PubChem CID81069762
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name3-methyl-4-[[methyl(2-methylpropyl)carbamoyl]amino]butanoic acid
SMILESCC(C)CN(C)C(=O)NCC(C)CC(=O)O
InChIInChI=1S/C11H22N2O3/c1-8(2)7-13(4)11(16)12-6-9(3)5-10(14)15/h8-9H,5-7H2,1-4H3,(H,12,16)(H,14,15)
InChIKeyVOJUADYIDVIXOT-UHFFFAOYSA-N
XLogP1.39
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-4-[[methyl(3-methylbutyl)carbamoyl]amino]butanoic acid
CID 81068960
3-methyl-4-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]butanoic acid
CID 81069981
3-methyl-4-[[methyl(propan-2-yl)carbamoyl]amino]butanoic acid
CID 81072394
4-[[ethyl(2-methylpropyl)carbamoyl]amino]-3-methylbutanoic acid
CID 81069914
4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3-methylbutanoic acid
CID 81069071
4-[bis(2-hydroxyethyl)carbamoylamino]-3-methylbutanoic acid
CID 81069035
4-[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]-3-methylbutanoic acid
CID 114950925
3-methyl-4-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]butanoic acid
CID 112662992
4-[1-(dimethylamino)propan-2-ylcarbamoylamino]-3-methylbutanoic acid
CID 82937416
2-methyl-3-[methyl(2-methylbutylcarbamoyl)amino]propanoic acid
CID 62692283
6-[[methyl(2-methylpropyl)carbamoyl]amino]hexanoic acid
CID 61196248
3-methyl-4-(propanoylamino)butanoic acid
CID 81063139

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[[methyl(2-methylpropyl)carbamoyl]amino]butanoic acid?
The IUPAC name of 3-methyl-4-[[methyl(2-methylpropyl)carbamoyl]amino]butanoic acid (CID 81069762) is 3-methyl-4-[[methyl(2-methylpropyl)carbamoyl]amino]butanoic acid.
What is the SMILES notation for 3-methyl-4-[[methyl(2-methylpropyl)carbamoyl]amino]butanoic acid?
The canonical SMILES for 3-methyl-4-[[methyl(2-methylpropyl)carbamoyl]amino]butanoic acid is CC(C)CN(C)C(=O)NCC(C)CC(=O)O.
What is the InChIKey of 3-methyl-4-[[methyl(2-methylpropyl)carbamoyl]amino]butanoic acid?
The InChIKey is VOJUADYIDVIXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-8(2)7-13(4)11(16)12-6-9(3)5-10(14)15/h8-9H,5-7H2,1-4H3,(H,12,16)(H,14,15).
What are the key properties of 3-methyl-4-[[methyl(2-methylpropyl)carbamoyl]amino]butanoic acid?
3-methyl-4-[[methyl(2-methylpropyl)carbamoyl]amino]butanoic acid has a molecular weight of 230.31 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[[methyl(2-methylpropyl)carbamoyl]amino]butanoic acid is sourced from PubChem (CID 81069762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).