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

C11H20N2O6 — CID 104862179

IUPAC(2S)-2-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]pentanedioic acid
SMILESCOCC(C)(C)NC(=O)N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C11H20N2O6/c1-11(2,6-19-3)13-10(18)12-7(9(16)17)4-5-8(14)15/h7H,4-6H2,1-3H3,(H,14,15)(H,16,17)(H2,12,13,18)/t7-/m0/s1
InChIKeyVJOLJMQAFLWPCU-ZETCQYMHSA-N
MW276.29 g/mol
LogP0.03
Rot. Bonds8

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

(2S)-2-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]pentanedioic acid (PubChem CID 104862179) has the molecular formula C11H20N2O6 and a molecular weight of 276.29 g/mol. Its IUPAC name is (2S)-2-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]pentanedioic acid.

Molecular Properties

Compound Name(2S)-2-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]pentanedioic acid
PubChem CID104862179
Molecular FormulaC11H20N2O6
Molecular Weight276.29 g/mol
Exact Mass276.13
IUPAC Name(2S)-2-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]pentanedioic acid
SMILESCOCC(C)(C)NC(=O)N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C11H20N2O6/c1-11(2,6-19-3)13-10(18)12-7(9(16)17)4-5-8(14)15/h7H,4-6H2,1-3H3,(H,14,15)(H,16,17)(H2,12,13,18)/t7-/m0/s1
InChIKeyVJOLJMQAFLWPCU-ZETCQYMHSA-N
XLogP0.03
TPSA124.96 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-5-methoxy-2-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]-5-oxopentanoic acid
CID 107828997
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
(2S)-2-(3-methylpentan-3-ylcarbamoylamino)pentanedioic acid
CID 114174501
2-[(2-methoxy-2-oxoethyl)carbamoylamino]pentanedioic acid
CID 61181286
(2S)-2-(methoxycarbonylamino)pentanedioic acid;(2S)-2-(methylcarbamoylamino)pentanedioic acid
CID 161104290
(2S)-2-[[(1R)-1-carboxy-2-(111C)methylsulfanylethyl]carbamoylamino]pentanedioic acid
CID 59768729
(2S)-2-(propan-2-ylcarbamoylamino)pentanedioic acid
CID 61143700
2-(3-methoxypropanoylamino)pentanedioic acid
CID 62590397
2-[(1-carboxy-2,2-dimethylpropyl)carbamoylamino]pentanedioic acid;propane
CID 144741623
2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoylamino]pentanedioic acid
CID 106279376
5-methoxy-2-(2,4,4-trimethylpentan-2-ylcarbamoylamino)pentanoic acid
CID 81086247

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]pentanedioic acid?
The IUPAC name of (2S)-2-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]pentanedioic acid (CID 104862179) is (2S)-2-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]pentanedioic acid.
What is the SMILES notation for (2S)-2-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]pentanedioic acid?
The canonical SMILES for (2S)-2-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]pentanedioic acid is COCC(C)(C)NC(=O)N[C@@H](CCC(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]pentanedioic acid?
The InChIKey is VJOLJMQAFLWPCU-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H20N2O6/c1-11(2,6-19-3)13-10(18)12-7(9(16)17)4-5-8(14)15/h7H,4-6H2,1-3H3,(H,14,15)(H,16,17)(H2,12,13,18)/t7-/m0/s1.
What are the key properties of (2S)-2-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]pentanedioic acid?
(2S)-2-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]pentanedioic acid has a molecular weight of 276.29 g/mol, XLogP of 0.03, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]pentanedioic acid is sourced from PubChem (CID 104862179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).