2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]pentanedioic acid

C11H20N2O6 — CID 61452729

IUPAC2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]pentanedioic acid
SMILESCOCC(C)N(C)C(=O)NC(CCC(=O)O)C(=O)O
InChIInChI=1S/C11H20N2O6/c1-7(6-19-3)13(2)11(18)12-8(10(16)17)4-5-9(14)15/h7-8H,4-6H2,1-3H3,(H,12,18)(H,14,15)(H,16,17)
InChIKeyCEIFNZGICJNPKH-UHFFFAOYSA-N
MW276.29 g/mol
LogP-0.02
Rot. Bonds8

About 2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]pentanedioic acid

2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]pentanedioic acid (PubChem CID 61452729) has the molecular formula C11H20N2O6 and a molecular weight of 276.29 g/mol. Its IUPAC name is 2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]pentanedioic acid.

Molecular Properties

Compound Name2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]pentanedioic acid
PubChem CID61452729
Molecular FormulaC11H20N2O6
Molecular Weight276.29 g/mol
Exact Mass276.13
IUPAC Name2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]pentanedioic acid
SMILESCOCC(C)N(C)C(=O)NC(CCC(=O)O)C(=O)O
InChIInChI=1S/C11H20N2O6/c1-7(6-19-3)13(2)11(18)12-8(10(16)17)4-5-9(14)15/h7-8H,4-6H2,1-3H3,(H,12,18)(H,14,15)(H,16,17)
InChIKeyCEIFNZGICJNPKH-UHFFFAOYSA-N
XLogP-0.02
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[butan-2-yl(methyl)carbamoyl]amino]pentanedioic acid
CID 61194747
2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]pentanedioic acid
CID 104553076
3-methoxy-2-[[methyl(pentan-2-yl)carbamoyl]amino]propanoic acid
CID 81083904
4-methoxy-2-[[methyl(pentan-2-yl)carbamoyl]amino]butanoic acid
CID 62480432
2-[[methyl(2-methylpropyl)carbamoyl]amino]pentanedioic acid
CID 61196782
3-methoxy-2-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]propanoic acid
CID 112662945
2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]pentanedioic acid
CID 61192921
2-[[1-cyanopropan-2-yl(methyl)carbamoyl]amino]-3-methoxypropanoic acid
CID 81081870
2-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]-4-methoxybutanoic acid
CID 62472882
6-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]-6-oxohexanoic acid
CID 61452796
2-(3-methoxypropanoylamino)pentanedioic acid
CID 62590397
(2S)-2-[[methyl(3-methylbutyl)carbamoyl]amino]pentanedioic acid
CID 61429121

Frequently Asked Questions

What is the IUPAC name of 2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]pentanedioic acid?
The IUPAC name of 2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]pentanedioic acid (CID 61452729) is 2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]pentanedioic acid.
What is the SMILES notation for 2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]pentanedioic acid?
The canonical SMILES for 2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]pentanedioic acid is COCC(C)N(C)C(=O)NC(CCC(=O)O)C(=O)O.
What is the InChIKey of 2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]pentanedioic acid?
The InChIKey is CEIFNZGICJNPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O6/c1-7(6-19-3)13(2)11(18)12-8(10(16)17)4-5-9(14)15/h7-8H,4-6H2,1-3H3,(H,12,18)(H,14,15)(H,16,17).
What are the key properties of 2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]pentanedioic acid?
2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]pentanedioic acid has a molecular weight of 276.29 g/mol, XLogP of -0.02, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]pentanedioic acid is sourced from PubChem (CID 61452729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).