(2S)-5-methoxy-2-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]-5-oxopentanoic acid

C12H22N2O6 — CID 107828997

IUPAC(2S)-5-methoxy-2-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]-5-oxopentanoic acid
SMILESCOCC(C)(C)NC(=O)N[C@@H](CCC(=O)OC)C(=O)O
InChIInChI=1S/C12H22N2O6/c1-12(2,7-19-3)14-11(18)13-8(10(16)17)5-6-9(15)20-4/h8H,5-7H2,1-4H3,(H,16,17)(H2,13,14,18)/t8-/m0/s1
InChIKeyMXTGFTFJWGEVLG-QMMMGPOBSA-N
MW290.32 g/mol
LogP0.12
Rot. Bonds8

About (2S)-5-methoxy-2-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]-5-oxopentanoic acid

(2S)-5-methoxy-2-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]-5-oxopentanoic acid (PubChem CID 107828997) has the molecular formula C12H22N2O6 and a molecular weight of 290.32 g/mol. Its IUPAC name is (2S)-5-methoxy-2-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-methoxy-2-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]-5-oxopentanoic acid
PubChem CID107828997
Molecular FormulaC12H22N2O6
Molecular Weight290.32 g/mol
Exact Mass290.15
IUPAC Name(2S)-5-methoxy-2-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]-5-oxopentanoic acid
SMILESCOCC(C)(C)NC(=O)N[C@@H](CCC(=O)OC)C(=O)O
InChIInChI=1S/C12H22N2O6/c1-12(2,7-19-3)14-11(18)13-8(10(16)17)5-6-9(15)20-4/h8H,5-7H2,1-4H3,(H,16,17)(H2,13,14,18)/t8-/m0/s1
InChIKeyMXTGFTFJWGEVLG-QMMMGPOBSA-N
XLogP0.12
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-5-methoxy-2-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]-5-oxopentanoic acid with MolForge

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Related Compounds

(2S)-2-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]pentanedioic acid
CID 104862179
2-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]hexanoic acid
CID 113470663
(2S)-2-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 104862178
(2R)-5-methoxy-2-(2-methoxyethylcarbamoylamino)-5-oxopentanoic acid
CID 107825526
(2R)-2-[[2-(dimethylamino)-2-methylpropyl]carbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107827164
(2R)-2-(2-aminoethylcarbamoylamino)-5-methoxy-5-oxopentanoic acid
CID 107826511
(2R)-2-[(2-tert-butylsulfanylacetyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820679
(2R)-2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 114005417
2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 103930427
5-methoxy-5-oxo-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]pentanoic acid
CID 103206219
(2R)-5-methoxy-2-(4-methoxybutylcarbamoylamino)-5-oxopentanoic acid
CID 107827213
2-[(2-methoxy-2-oxoethyl)carbamoylamino]pentanedioic acid
CID 61181286

Frequently Asked Questions

What is the IUPAC name of (2S)-5-methoxy-2-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]-5-oxopentanoic acid?
The IUPAC name of (2S)-5-methoxy-2-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]-5-oxopentanoic acid (CID 107828997) is (2S)-5-methoxy-2-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-methoxy-2-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-methoxy-2-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]-5-oxopentanoic acid is COCC(C)(C)NC(=O)N[C@@H](CCC(=O)OC)C(=O)O.
What is the InChIKey of (2S)-5-methoxy-2-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]-5-oxopentanoic acid?
The InChIKey is MXTGFTFJWGEVLG-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H22N2O6/c1-12(2,7-19-3)14-11(18)13-8(10(16)17)5-6-9(15)20-4/h8H,5-7H2,1-4H3,(H,16,17)(H2,13,14,18)/t8-/m0/s1.
What are the key properties of (2S)-5-methoxy-2-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]-5-oxopentanoic acid?
(2S)-5-methoxy-2-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]-5-oxopentanoic acid has a molecular weight of 290.32 g/mol, XLogP of 0.12, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-methoxy-2-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]-5-oxopentanoic acid is sourced from PubChem (CID 107828997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).