2-[[methyl(2-methylpropyl)carbamoyl]amino]pentanedioic acid

C11H20N2O5 — CID 61196782

IUPAC2-[[methyl(2-methylpropyl)carbamoyl]amino]pentanedioic acid
SMILESCC(C)CN(C)C(=O)NC(CCC(=O)O)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-7(2)6-13(3)11(18)12-8(10(16)17)4-5-9(14)15/h7-8H,4-6H2,1-3H3,(H,12,18)(H,14,15)(H,16,17)
InChIKeyKFWUVGUIFWKNJZ-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.60
Rot. Bonds7

About 2-[[methyl(2-methylpropyl)carbamoyl]amino]pentanedioic acid

2-[[methyl(2-methylpropyl)carbamoyl]amino]pentanedioic acid (PubChem CID 61196782) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[[methyl(2-methylpropyl)carbamoyl]amino]pentanedioic acid.

Molecular Properties

Compound Name2-[[methyl(2-methylpropyl)carbamoyl]amino]pentanedioic acid
PubChem CID61196782
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name2-[[methyl(2-methylpropyl)carbamoyl]amino]pentanedioic acid
SMILESCC(C)CN(C)C(=O)NC(CCC(=O)O)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-7(2)6-13(3)11(18)12-8(10(16)17)4-5-9(14)15/h7-8H,4-6H2,1-3H3,(H,12,18)(H,14,15)(H,16,17)
InChIKeyKFWUVGUIFWKNJZ-UHFFFAOYSA-N
XLogP0.60
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[methyl(3-methylbutyl)carbamoyl]amino]pentanedioic acid
CID 61429121
(2S)-2-[[butan-2-yl(methyl)carbamoyl]amino]pentanedioic acid
CID 61194747
2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]pentanedioic acid
CID 104553076
2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]pentanedioic acid
CID 61192921
(2R)-4-amino-2-[[methyl(2-methylpropyl)carbamoyl]amino]-4-oxobutanoic acid
CID 107826094
2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]pentanedioic acid
CID 61452729
2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]pentanedioic acid
CID 63859361
(2S)-2-[[cyclopentylmethyl(methyl)carbamoyl]amino]pentanedioic acid
CID 63657379
(2R)-5-amino-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]-5-oxopentanoic acid
CID 107831208
2-[1-(dimethylamino)propan-2-ylcarbamoylamino]pentanedioic acid
CID 82950117
(2S)-2-[[2,2-difluoroethyl(methyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 114005859
(2R)-2-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]hexanedioic acid
CID 107838523

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(2-methylpropyl)carbamoyl]amino]pentanedioic acid?
The IUPAC name of 2-[[methyl(2-methylpropyl)carbamoyl]amino]pentanedioic acid (CID 61196782) is 2-[[methyl(2-methylpropyl)carbamoyl]amino]pentanedioic acid.
What is the SMILES notation for 2-[[methyl(2-methylpropyl)carbamoyl]amino]pentanedioic acid?
The canonical SMILES for 2-[[methyl(2-methylpropyl)carbamoyl]amino]pentanedioic acid is CC(C)CN(C)C(=O)NC(CCC(=O)O)C(=O)O.
What is the InChIKey of 2-[[methyl(2-methylpropyl)carbamoyl]amino]pentanedioic acid?
The InChIKey is KFWUVGUIFWKNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-7(2)6-13(3)11(18)12-8(10(16)17)4-5-9(14)15/h7-8H,4-6H2,1-3H3,(H,12,18)(H,14,15)(H,16,17).
What are the key properties of 2-[[methyl(2-methylpropyl)carbamoyl]amino]pentanedioic acid?
2-[[methyl(2-methylpropyl)carbamoyl]amino]pentanedioic acid has a molecular weight of 260.29 g/mol, XLogP of 0.60, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(2-methylpropyl)carbamoyl]amino]pentanedioic acid is sourced from PubChem (CID 61196782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).