3-methyl-5-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]-5-oxopentanoic acid

C13H24N2O4 — CID 113408932

IUPAC3-methyl-5-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]-5-oxopentanoic acid
SMILESCC(C)CNC(=O)CN(C)C(=O)CC(C)CC(=O)O
InChIInChI=1S/C13H24N2O4/c1-9(2)7-14-11(16)8-15(4)12(17)5-10(3)6-13(18)19/h9-10H,5-8H2,1-4H3,(H,14,16)(H,18,19)
InChIKeyICCYINUTCKDALJ-UHFFFAOYSA-N
MW272.34 g/mol
LogP0.72
Rot. Bonds8

About 3-methyl-5-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]-5-oxopentanoic acid

3-methyl-5-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]-5-oxopentanoic acid (PubChem CID 113408932) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 3-methyl-5-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name3-methyl-5-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]-5-oxopentanoic acid
PubChem CID113408932
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name3-methyl-5-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]-5-oxopentanoic acid
SMILESCC(C)CNC(=O)CN(C)C(=O)CC(C)CC(=O)O
InChIInChI=1S/C13H24N2O4/c1-9(2)7-14-11(16)8-15(4)12(17)5-10(3)6-13(18)19/h9-10H,5-8H2,1-4H3,(H,14,16)(H,18,19)
InChIKeyICCYINUTCKDALJ-UHFFFAOYSA-N
XLogP0.72
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dimethylamino)-N-(2-methylpropyl)acetamide
CID 20735570
5-[2-(dimethylamino)propylamino]-3-methyl-5-oxopentanoic acid
CID 62966305
3-[2-carboxyethyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]propanoic acid
CID 82327299
(2S)-2-amino-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-2-phenylacetamide
CID 104898372
3-methyl-4-[[methyl(2-methylpropyl)carbamoyl]amino]butanoic acid
CID 81069762
5-[[2-(dimethylamino)-2-oxoethyl]amino]-3-methyl-5-oxopentanoic acid
CID 62963822
3-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
CID 167420735
3-methyl-4-(propanoylamino)butanoic acid
CID 81063139
3-methyl-5-(2-methylbutylamino)-5-oxopentanoic acid
CID 62963901
3-methyl-5-oxo-5-[[2-oxo-2-(propylamino)ethyl]-propylamino]pentanoic acid
CID 62965075
3-amino-N,2-dimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-3-sulfanylidenepropanamide
CID 113409349
5-[carboxymethyl(hydroxy)amino]-3-methyl-5-oxopentanoic acid
CID 175776625

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]-5-oxopentanoic acid?
The IUPAC name of 3-methyl-5-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]-5-oxopentanoic acid (CID 113408932) is 3-methyl-5-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 3-methyl-5-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 3-methyl-5-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]-5-oxopentanoic acid is CC(C)CNC(=O)CN(C)C(=O)CC(C)CC(=O)O.
What is the InChIKey of 3-methyl-5-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]-5-oxopentanoic acid?
The InChIKey is ICCYINUTCKDALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-9(2)7-14-11(16)8-15(4)12(17)5-10(3)6-13(18)19/h9-10H,5-8H2,1-4H3,(H,14,16)(H,18,19).
What are the key properties of 3-methyl-5-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]-5-oxopentanoic acid?
3-methyl-5-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]-5-oxopentanoic acid has a molecular weight of 272.34 g/mol, XLogP of 0.72, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 113408932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).