2-methoxy-3-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]propanoic acid

C11H22N2O5 — CID 106110258

IUPAC2-methoxy-3-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]propanoic acid
SMILESCOCC(NC(=O)NCC(OC)C(=O)O)C(C)C
InChIInChI=1S/C11H22N2O5/c1-7(2)8(6-17-3)13-11(16)12-5-9(18-4)10(14)15/h7-9H,5-6H2,1-4H3,(H,14,15)(H2,12,13,16)
InChIKeyMUGRCYTYMXQDFX-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.06
Rot. Bonds8

About 2-methoxy-3-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]propanoic acid

2-methoxy-3-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]propanoic acid (PubChem CID 106110258) has the molecular formula C11H22N2O5 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-methoxy-3-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-methoxy-3-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]propanoic acid
PubChem CID106110258
Molecular FormulaC11H22N2O5
Molecular Weight262.31 g/mol
Exact Mass262.15
IUPAC Name2-methoxy-3-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]propanoic acid
SMILESCOCC(NC(=O)NCC(OC)C(=O)O)C(C)C
InChIInChI=1S/C11H22N2O5/c1-7(2)8(6-17-3)13-11(16)12-5-9(18-4)10(14)15/h7-9H,5-6H2,1-4H3,(H,14,15)(H2,12,13,16)
InChIKeyMUGRCYTYMXQDFX-UHFFFAOYSA-N
XLogP0.06
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]propanoic acid
CID 65048182
(2R)-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]-3-methylbutanoic acid
CID 79010313
3-(but-3-en-2-ylcarbamoylamino)-2-methoxypropanoic acid
CID 106110511
4-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]butanoic acid
CID 65048026
(2S)-3-hydroxy-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]propanoic acid
CID 65048667
2-methoxy-3-(4-methoxybutylcarbamoylamino)propanoic acid
CID 106110012
(2R)-4-hydroxy-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]butanoic acid
CID 107828128
2-methoxy-3-(5-methoxypentylcarbamoylamino)propanoic acid
CID 114144824
3-[[1-(cyclopropylamino)-1-oxopropan-2-yl]carbamoylamino]-2-methoxypropanoic acid
CID 114144760
N-(1-methoxy-3-methylbutan-2-yl)acetamide
CID 65053654
N-[(2S)-1-methoxy-3-methylbutan-2-yl]acetamide
CID 167034901
3-[2-(2,2-difluoroethoxy)ethylcarbamoylamino]-2-methoxypropanoic acid
CID 106110715

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]propanoic acid?
The IUPAC name of 2-methoxy-3-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]propanoic acid (CID 106110258) is 2-methoxy-3-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]propanoic acid.
What is the SMILES notation for 2-methoxy-3-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]propanoic acid?
The canonical SMILES for 2-methoxy-3-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]propanoic acid is COCC(NC(=O)NCC(OC)C(=O)O)C(C)C.
What is the InChIKey of 2-methoxy-3-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]propanoic acid?
The InChIKey is MUGRCYTYMXQDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O5/c1-7(2)8(6-17-3)13-11(16)12-5-9(18-4)10(14)15/h7-9H,5-6H2,1-4H3,(H,14,15)(H2,12,13,16).
What are the key properties of 2-methoxy-3-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]propanoic acid?
2-methoxy-3-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]propanoic acid has a molecular weight of 262.31 g/mol, XLogP of 0.06, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]propanoic acid is sourced from PubChem (CID 106110258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).