5-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-3-methyl-5-oxopentanoic acid

C13H24N2O4 — CID 62964214

IUPAC5-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-3-methyl-5-oxopentanoic acid
SMILESCCN(CC)C(=O)C(C)NC(=O)CC(C)CC(=O)O
InChIInChI=1S/C13H24N2O4/c1-5-15(6-2)13(19)10(4)14-11(16)7-9(3)8-12(17)18/h9-10H,5-8H2,1-4H3,(H,14,16)(H,17,18)
InChIKeyOGNOPEGZBXMUNE-UHFFFAOYSA-N
MW272.34 g/mol
LogP0.86
Rot. Bonds8

About 5-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-3-methyl-5-oxopentanoic acid

5-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-3-methyl-5-oxopentanoic acid (PubChem CID 62964214) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 5-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-3-methyl-5-oxopentanoic acid
PubChem CID62964214
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name5-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-3-methyl-5-oxopentanoic acid
SMILESCCN(CC)C(=O)C(C)NC(=O)CC(C)CC(=O)O
InChIInChI=1S/C13H24N2O4/c1-5-15(6-2)13(19)10(4)14-11(16)7-9(3)8-12(17)18/h9-10H,5-8H2,1-4H3,(H,14,16)(H,17,18)
InChIKeyOGNOPEGZBXMUNE-UHFFFAOYSA-N
XLogP0.86
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 ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloropropanoylamino)-N,N-diethylpropanamide
CID 43696191
5-[[ethyl(2-methylpropyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid
CID 62966207
3-methyl-5-oxo-5-(pentan-3-ylamino)pentanoic acid
CID 62966244
3-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-3-methylbutanamide
CID 64685595
methyl N-[1-(diethylamino)-1-oxopropan-2-yl]carbamate
CID 115590943
N,N-diethyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]propanamide
CID 112604570
3-methyl-5-(2-methylbutylamino)-5-oxopentanoic acid
CID 62963901
1-[2-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60941748
N,N-diethyl-2-(2-methoxypropanoylamino)propanamide
CID 115588502
3-methyl-5-(3-methylpentan-3-ylamino)-5-oxopentanoic acid
CID 106328220
2-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoylamino]butanoic acid
CID 113408715
5-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-methyl-5-oxopentanoic acid
CID 62965168

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-3-methyl-5-oxopentanoic acid (CID 62964214) is 5-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-3-methyl-5-oxopentanoic acid is CCN(CC)C(=O)C(C)NC(=O)CC(C)CC(=O)O.
What is the InChIKey of 5-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-3-methyl-5-oxopentanoic acid?
The InChIKey is OGNOPEGZBXMUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-5-15(6-2)13(19)10(4)14-11(16)7-9(3)8-12(17)18/h9-10H,5-8H2,1-4H3,(H,14,16)(H,17,18).
What are the key properties of 5-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-3-methyl-5-oxopentanoic acid?
5-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-3-methyl-5-oxopentanoic acid has a molecular weight of 272.34 g/mol, XLogP of 0.86, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 62964214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).