5-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3-methyl-5-oxopentanoic acid

C13H26N2O3 — CID 55156179

IUPAC5-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)NC(CN(C)C)C(C)C
InChIInChI=1S/C13H26N2O3/c1-9(2)11(8-15(4)5)14-12(16)6-10(3)7-13(17)18/h9-11H,6-8H2,1-5H3,(H,14,16)(H,17,18)
InChIKeyFUZUWDSIVKWKAM-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.19
Rot. Bonds8

About 5-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3-methyl-5-oxopentanoic acid

5-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3-methyl-5-oxopentanoic acid (PubChem CID 55156179) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 5-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3-methyl-5-oxopentanoic acid
PubChem CID55156179
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name5-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)NC(CN(C)C)C(C)C
InChIInChI=1S/C13H26N2O3/c1-9(2)11(8-15(4)5)14-12(16)6-10(3)7-13(17)18/h9-11H,6-8H2,1-5H3,(H,14,16)(H,17,18)
InChIKeyFUZUWDSIVKWKAM-UHFFFAOYSA-N
XLogP1.19
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-oxoacetic acid
CID 61479125
N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-(methylamino)propanamide
CID 62639532
3-methyl-5-(5-methylhexan-2-ylamino)-5-oxopentanoic acid
CID 62966251
2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetic acid
CID 61480028
3-methyl-5-oxo-5-(pentan-3-ylamino)pentanoic acid
CID 62966244
4-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl-methylamino]butanoic acid
CID 61479113
2-[butan-2-yl-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl]amino]acetic acid
CID 61479072
2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoylamino]-2-methylpropanoic acid
CID 54958910
5-[[2-(dimethylamino)-2-oxoethyl]amino]-3-methyl-5-oxopentanoic acid
CID 62963822
1-tert-butyl-3-[1-(dimethylamino)-3-methylbutan-2-yl]urea
CID 115585870
5-[2-(dimethylamino)propylamino]-3-methyl-5-oxopentanoic acid
CID 62966305
4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-phenylbutanamide
CID 63324351

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3-methyl-5-oxopentanoic acid (CID 55156179) is 5-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3-methyl-5-oxopentanoic acid is CC(CC(=O)O)CC(=O)NC(CN(C)C)C(C)C.
What is the InChIKey of 5-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3-methyl-5-oxopentanoic acid?
The InChIKey is FUZUWDSIVKWKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-9(2)11(8-15(4)5)14-12(16)6-10(3)7-13(17)18/h9-11H,6-8H2,1-5H3,(H,14,16)(H,17,18).
What are the key properties of 5-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3-methyl-5-oxopentanoic acid?
5-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3-methyl-5-oxopentanoic acid has a molecular weight of 258.36 g/mol, XLogP of 1.19, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 55156179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).