3-methoxy-4-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]butanoic acid

C11H22N2O5 — CID 103158828

IUPAC3-methoxy-4-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]butanoic acid
SMILESCOCC(C)N(C)C(=O)NCC(CC(=O)O)OC
InChIInChI=1S/C11H22N2O5/c1-8(7-17-3)13(2)11(16)12-6-9(18-4)5-10(14)15/h8-9H,5-7H2,1-4H3,(H,12,16)(H,14,15)
InChIKeyBXHIDSDVQDKKBW-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.15
Rot. Bonds8

About 3-methoxy-4-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]butanoic acid

3-methoxy-4-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]butanoic acid (PubChem CID 103158828) has the molecular formula C11H22N2O5 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-methoxy-4-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name3-methoxy-4-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]butanoic acid
PubChem CID103158828
Molecular FormulaC11H22N2O5
Molecular Weight262.31 g/mol
Exact Mass262.15
IUPAC Name3-methoxy-4-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]butanoic acid
SMILESCOCC(C)N(C)C(=O)NCC(CC(=O)O)OC
InChIInChI=1S/C11H22N2O5/c1-8(7-17-3)13(2)11(16)12-6-9(18-4)5-10(14)15/h8-9H,5-7H2,1-4H3,(H,12,16)(H,14,15)
InChIKeyBXHIDSDVQDKKBW-UHFFFAOYSA-N
XLogP0.15
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[bis(2-methoxyethyl)carbamoylamino]-3-methoxybutanoic acid
CID 103158774
3-methoxy-4-[[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]butanoic acid
CID 103159623
4-[(2-amino-3-methoxypropanoyl)amino]-3-methoxybutanoic acid
CID 103157306
3-methoxy-4-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]butanoic acid
CID 103158193
4-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-3-methoxybutanoic acid
CID 103159424
6-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]hexanoic acid
CID 54946641
4-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-3-methoxybutanoic acid
CID 103158593
4-[[2,2-difluoroethyl(methyl)carbamoyl]amino]-3-methoxybutanoic acid
CID 103160013
3-methoxy-4-[[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]amino]butanoic acid
CID 103158829
2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]pentanedioic acid
CID 61452729
3-methoxy-4-[[methyl(phenyl)carbamoyl]amino]butanoic acid
CID 103158245
3-methoxy-4-[[(4-methoxyphenyl)-methylcarbamoyl]amino]butanoic acid
CID 103159199

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]butanoic acid?
The IUPAC name of 3-methoxy-4-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]butanoic acid (CID 103158828) is 3-methoxy-4-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]butanoic acid.
What is the SMILES notation for 3-methoxy-4-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]butanoic acid?
The canonical SMILES for 3-methoxy-4-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]butanoic acid is COCC(C)N(C)C(=O)NCC(CC(=O)O)OC.
What is the InChIKey of 3-methoxy-4-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]butanoic acid?
The InChIKey is BXHIDSDVQDKKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O5/c1-8(7-17-3)13(2)11(16)12-6-9(18-4)5-10(14)15/h8-9H,5-7H2,1-4H3,(H,12,16)(H,14,15).
What are the key properties of 3-methoxy-4-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]butanoic acid?
3-methoxy-4-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]butanoic acid has a molecular weight of 262.31 g/mol, XLogP of 0.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]butanoic acid is sourced from PubChem (CID 103158828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).