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

C10H18N2O4 — CID 62963822

IUPAC5-[[2-(dimethylamino)-2-oxoethyl]amino]-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)NCC(=O)N(C)C
InChIInChI=1S/C10H18N2O4/c1-7(5-10(15)16)4-8(13)11-6-9(14)12(2)3/h7H,4-6H2,1-3H3,(H,11,13)(H,15,16)
InChIKeyOMKUBQVQLFXFTL-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.31
Rot. Bonds6

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

5-[[2-(dimethylamino)-2-oxoethyl]amino]-3-methyl-5-oxopentanoic acid (PubChem CID 62963822) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 5-[[2-(dimethylamino)-2-oxoethyl]amino]-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[[2-(dimethylamino)-2-oxoethyl]amino]-3-methyl-5-oxopentanoic acid
PubChem CID62963822
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name5-[[2-(dimethylamino)-2-oxoethyl]amino]-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)NCC(=O)N(C)C
InChIInChI=1S/C10H18N2O4/c1-7(5-10(15)16)4-8(13)11-6-9(14)12(2)3/h7H,4-6H2,1-3H3,(H,11,13)(H,15,16)
InChIKeyOMKUBQVQLFXFTL-UHFFFAOYSA-N
XLogP-0.31
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[2-(dimethylamino)-2-oxoethyl]-3,5-dimethylhexanamide
CID 95211996
5-[(2-amino-2-oxoethyl)amino]-3-methyl-5-oxopentanoic acid
CID 62966422
5-[2-(dimethylamino)propylamino]-3-methyl-5-oxopentanoic acid
CID 62966305
5-[2-[ethyl(methyl)amino]ethylamino]-3-methyl-5-oxopentanoic acid
CID 62963726
5-(cyanomethylamino)-3-methyl-5-oxopentanoic acid
CID 62965259
3-methyl-5-(2-methylbutylamino)-5-oxopentanoic acid
CID 62963901
2-[[2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]acetyl]amino]acetic acid
CID 61197433
5-(3-hydroxypropylamino)-3-methyl-5-oxopentanoic acid
CID 62966087
5-(2,2-diethoxyethylamino)-3-methyl-5-oxopentanoic acid
CID 79548215
5-(2,2-dimethoxyethylamino)-3-methyl-5-oxopentanoic acid
CID 62965063
N-[(1R)-3-[[2-(dimethylamino)-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 9480729
N-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypropanamide
CID 20719167

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(dimethylamino)-2-oxoethyl]amino]-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-[[2-(dimethylamino)-2-oxoethyl]amino]-3-methyl-5-oxopentanoic acid (CID 62963822) is 5-[[2-(dimethylamino)-2-oxoethyl]amino]-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[[2-(dimethylamino)-2-oxoethyl]amino]-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-[[2-(dimethylamino)-2-oxoethyl]amino]-3-methyl-5-oxopentanoic acid is CC(CC(=O)O)CC(=O)NCC(=O)N(C)C.
What is the InChIKey of 5-[[2-(dimethylamino)-2-oxoethyl]amino]-3-methyl-5-oxopentanoic acid?
The InChIKey is OMKUBQVQLFXFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-7(5-10(15)16)4-8(13)11-6-9(14)12(2)3/h7H,4-6H2,1-3H3,(H,11,13)(H,15,16).
What are the key properties of 5-[[2-(dimethylamino)-2-oxoethyl]amino]-3-methyl-5-oxopentanoic acid?
5-[[2-(dimethylamino)-2-oxoethyl]amino]-3-methyl-5-oxopentanoic acid has a molecular weight of 230.26 g/mol, XLogP of -0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(dimethylamino)-2-oxoethyl]amino]-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 62963822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).