2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]pentanedioic acid

C10H16N2O7 — CID 61192921

IUPAC2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]pentanedioic acid
SMILESCOC(=O)CN(C)C(=O)NC(CCC(=O)O)C(=O)O
InChIInChI=1S/C10H16N2O7/c1-12(5-8(15)19-2)10(18)11-6(9(16)17)3-4-7(13)14/h6H,3-5H2,1-2H3,(H,11,18)(H,13,14)(H,16,17)
InChIKeyQOYSEWYVCUTNLA-UHFFFAOYSA-N
MW276.25 g/mol
LogP-0.88
Rot. Bonds7

About 2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]pentanedioic acid

2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]pentanedioic acid (PubChem CID 61192921) has the molecular formula C10H16N2O7 and a molecular weight of 276.25 g/mol. Its IUPAC name is 2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]pentanedioic acid.

Molecular Properties

Compound Name2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]pentanedioic acid
PubChem CID61192921
Molecular FormulaC10H16N2O7
Molecular Weight276.25 g/mol
Exact Mass276.10
IUPAC Name2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]pentanedioic acid
SMILESCOC(=O)CN(C)C(=O)NC(CCC(=O)O)C(=O)O
InChIInChI=1S/C10H16N2O7/c1-12(5-8(15)19-2)10(18)11-6(9(16)17)3-4-7(13)14/h6H,3-5H2,1-2H3,(H,11,18)(H,13,14)(H,16,17)
InChIKeyQOYSEWYVCUTNLA-UHFFFAOYSA-N
XLogP-0.88
TPSA133.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]-4-oxobutanoic acid
CID 61193149
2-[[methyl(2-methylpropyl)carbamoyl]amino]pentanedioic acid
CID 61196782
(2S)-2-[[methyl(3-methylbutyl)carbamoyl]amino]pentanedioic acid
CID 61429121
(2S)-2-[[2,2-difluoroethyl(methyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 114005859
(2S)-5-methoxy-2-[[2-methoxyethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid
CID 114005480
(2R)-2-[[2,2-dimethylpropyl(methyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107827291
(2R)-2-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107828313
(2S)-2-[[cyclopentylmethyl(methyl)carbamoyl]amino]pentanedioic acid
CID 63657379
(2R)-2-[[butyl(methyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 114005321
(2R)-2-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107827833
2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]pentanedioic acid
CID 61452729
(2R)-5-methoxy-2-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]-5-oxopentanoic acid
CID 107828176

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]pentanedioic acid?
The IUPAC name of 2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]pentanedioic acid (CID 61192921) is 2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]pentanedioic acid.
What is the SMILES notation for 2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]pentanedioic acid?
The canonical SMILES for 2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]pentanedioic acid is COC(=O)CN(C)C(=O)NC(CCC(=O)O)C(=O)O.
What is the InChIKey of 2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]pentanedioic acid?
The InChIKey is QOYSEWYVCUTNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O7/c1-12(5-8(15)19-2)10(18)11-6(9(16)17)3-4-7(13)14/h6H,3-5H2,1-2H3,(H,11,18)(H,13,14)(H,16,17).
What are the key properties of 2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]pentanedioic acid?
2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]pentanedioic acid has a molecular weight of 276.25 g/mol, XLogP of -0.88, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]pentanedioic acid is sourced from PubChem (CID 61192921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).