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

C12H19NO7 — CID 62956088

IUPAC5-[bis(2-methoxy-2-oxoethyl)amino]-3-methyl-5-oxopentanoic acid
SMILESCOC(=O)CN(CC(=O)OC)C(=O)CC(C)CC(=O)O
InChIInChI=1S/C12H19NO7/c1-8(5-10(15)16)4-9(14)13(6-11(17)19-2)7-12(18)20-3/h8H,4-7H2,1-3H3,(H,15,16)
InChIKeyWQAMKDHSAVULIA-UHFFFAOYSA-N
MW289.28 g/mol
LogP-0.34
Rot. Bonds8

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

5-[bis(2-methoxy-2-oxoethyl)amino]-3-methyl-5-oxopentanoic acid (PubChem CID 62956088) has the molecular formula C12H19NO7 and a molecular weight of 289.28 g/mol. Its IUPAC name is 5-[bis(2-methoxy-2-oxoethyl)amino]-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[bis(2-methoxy-2-oxoethyl)amino]-3-methyl-5-oxopentanoic acid
PubChem CID62956088
Molecular FormulaC12H19NO7
Molecular Weight289.28 g/mol
Exact Mass289.12
IUPAC Name5-[bis(2-methoxy-2-oxoethyl)amino]-3-methyl-5-oxopentanoic acid
SMILESCOC(=O)CN(CC(=O)OC)C(=O)CC(C)CC(=O)O
InChIInChI=1S/C12H19NO7/c1-8(5-10(15)16)4-9(14)13(6-11(17)19-2)7-12(18)20-3/h8H,4-7H2,1-3H3,(H,15,16)
InChIKeyWQAMKDHSAVULIA-UHFFFAOYSA-N
XLogP-0.34
TPSA110.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2-methoxy-2-oxoethyl)-propylamino]-3-methyl-5-oxopentanoic acid
CID 62964741
5-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]-3-methyl-5-oxopentanoic acid
CID 55157133
methyl 2-[(2-methoxy-2-oxoethyl)-(2-propan-2-yloxyacetyl)amino]acetate
CID 112690225
methyl 2-[3-methylpentanoyl(propan-2-yl)amino]acetate
CID 114875753
5-[carboxymethyl(hydroxy)amino]-3-methyl-5-oxopentanoic acid
CID 175776625
5-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-methyl-5-oxopentanoic acid
CID 62965168
methyl 2-[3-aminobutanoyl(propyl)amino]acetate
CID 60946687
5-[ethyl(2-hydroxyethyl)amino]-3-methyl-5-oxopentanoic acid
CID 62965425
3-methyl-5-oxo-5-[[2-oxo-2-(propylamino)ethyl]-propylamino]pentanoic acid
CID 62965075
methyl 2-[ethoxycarbonyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62953811
(2S)-2-[bis(2-methoxy-2-oxoethyl)carbamoylamino]-3-methylbutanoic acid
CID 62955217
4-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-methylbutanoic acid
CID 81069497

Frequently Asked Questions

What is the IUPAC name of 5-[bis(2-methoxy-2-oxoethyl)amino]-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-[bis(2-methoxy-2-oxoethyl)amino]-3-methyl-5-oxopentanoic acid (CID 62956088) is 5-[bis(2-methoxy-2-oxoethyl)amino]-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[bis(2-methoxy-2-oxoethyl)amino]-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-[bis(2-methoxy-2-oxoethyl)amino]-3-methyl-5-oxopentanoic acid is COC(=O)CN(CC(=O)OC)C(=O)CC(C)CC(=O)O.
What is the InChIKey of 5-[bis(2-methoxy-2-oxoethyl)amino]-3-methyl-5-oxopentanoic acid?
The InChIKey is WQAMKDHSAVULIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO7/c1-8(5-10(15)16)4-9(14)13(6-11(17)19-2)7-12(18)20-3/h8H,4-7H2,1-3H3,(H,15,16).
What are the key properties of 5-[bis(2-methoxy-2-oxoethyl)amino]-3-methyl-5-oxopentanoic acid?
5-[bis(2-methoxy-2-oxoethyl)amino]-3-methyl-5-oxopentanoic acid has a molecular weight of 289.28 g/mol, XLogP of -0.34, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bis(2-methoxy-2-oxoethyl)amino]-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 62956088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).