3-methoxy-4-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]butanoic acid

C11H22N2O5 — CID 103159951

IUPAC3-methoxy-4-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]butanoic acid
SMILESCOCC(C)(C)NC(=O)NCC(CC(=O)O)OC
InChIInChI=1S/C11H22N2O5/c1-11(2,7-17-3)13-10(16)12-6-8(18-4)5-9(14)15/h8H,5-7H2,1-4H3,(H,14,15)(H2,12,13,16)
InChIKeyHBZCCWPMGCDNQO-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.20
Rot. Bonds8

About 3-methoxy-4-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]butanoic acid

3-methoxy-4-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]butanoic acid (PubChem CID 103159951) has the molecular formula C11H22N2O5 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-methoxy-4-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]butanoic acid.

Molecular Properties

Compound Name3-methoxy-4-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]butanoic acid
PubChem CID103159951
Molecular FormulaC11H22N2O5
Molecular Weight262.31 g/mol
Exact Mass262.15
IUPAC Name3-methoxy-4-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]butanoic acid
SMILESCOCC(C)(C)NC(=O)NCC(CC(=O)O)OC
InChIInChI=1S/C11H22N2O5/c1-11(2,7-17-3)13-10(16)12-6-8(18-4)5-9(14)15/h8H,5-7H2,1-4H3,(H,14,15)(H2,12,13,16)
InChIKeyHBZCCWPMGCDNQO-UHFFFAOYSA-N
XLogP0.20
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 ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-4-(2-methylpentan-2-ylcarbamoylamino)butanoic acid
CID 103159952
3-methoxy-4-[(2-methoxy-2-oxoethyl)carbamoylamino]butanoic acid
CID 103158259
3-methoxy-4-[(2-methoxy-2-methylpropyl)carbamoylamino]butanoic acid
CID 103159931
1-ethyl-3-(1-methoxy-2-methylpropan-2-yl)urea
CID 115690657
3-methoxy-4-(pentan-3-ylcarbamoylamino)butanoic acid
CID 103158242
4-(cyclobutylcarbamoylamino)-3-methoxybutanoic acid
CID 103153423
3-methoxy-4-(4-methoxybutylcarbamoylamino)butanoic acid
CID 103159129
3-methoxy-4-[[2-(methylamino)-2-oxoethyl]carbamoylamino]butanoic acid
CID 103158580
3-methoxy-4-(4,4,4-trifluorobutanoylamino)butanoic acid
CID 103153021
(2S)-2-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]pentanedioic acid
CID 104862179
3-methoxy-4-[(1-methylcyclopropyl)carbamoylamino]butanoic acid
CID 103159981
4-[(4-amino-4-oxobutyl)carbamoylamino]-3-methoxybutanoic acid
CID 103158686

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]butanoic acid?
The IUPAC name of 3-methoxy-4-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]butanoic acid (CID 103159951) is 3-methoxy-4-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]butanoic acid.
What is the SMILES notation for 3-methoxy-4-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]butanoic acid?
The canonical SMILES for 3-methoxy-4-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]butanoic acid is COCC(C)(C)NC(=O)NCC(CC(=O)O)OC.
What is the InChIKey of 3-methoxy-4-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]butanoic acid?
The InChIKey is HBZCCWPMGCDNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O5/c1-11(2,7-17-3)13-10(16)12-6-8(18-4)5-9(14)15/h8H,5-7H2,1-4H3,(H,14,15)(H2,12,13,16).
What are the key properties of 3-methoxy-4-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]butanoic acid?
3-methoxy-4-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]butanoic acid has a molecular weight of 262.31 g/mol, XLogP of 0.20, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]butanoic acid is sourced from PubChem (CID 103159951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).