3-methoxy-4-[[(4-methoxyphenyl)-methylcarbamoyl]amino]butanoic acid

C14H20N2O5 — CID 103159199

IUPAC3-methoxy-4-[[(4-methoxyphenyl)-methylcarbamoyl]amino]butanoic acid
SMILESCOc1ccc(N(C)C(=O)NCC(CC(=O)O)OC)cc1
InChIInChI=1S/C14H20N2O5/c1-16(10-4-6-11(20-2)7-5-10)14(19)15-9-12(21-3)8-13(17)18/h4-7,12H,8-9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyNADPOQZVELRIMD-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.33
Rot. Bonds7

About 3-methoxy-4-[[(4-methoxyphenyl)-methylcarbamoyl]amino]butanoic acid

3-methoxy-4-[[(4-methoxyphenyl)-methylcarbamoyl]amino]butanoic acid (PubChem CID 103159199) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 3-methoxy-4-[[(4-methoxyphenyl)-methylcarbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name3-methoxy-4-[[(4-methoxyphenyl)-methylcarbamoyl]amino]butanoic acid
PubChem CID103159199
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name3-methoxy-4-[[(4-methoxyphenyl)-methylcarbamoyl]amino]butanoic acid
SMILESCOc1ccc(N(C)C(=O)NCC(CC(=O)O)OC)cc1
InChIInChI=1S/C14H20N2O5/c1-16(10-4-6-11(20-2)7-5-10)14(19)15-9-12(21-3)8-13(17)18/h4-7,12H,8-9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyNADPOQZVELRIMD-UHFFFAOYSA-N
XLogP1.33
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-4-[[methyl(phenyl)carbamoyl]amino]butanoic acid
CID 103158245
3-methoxy-4-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]butanoic acid
CID 103153245
4-[[(2,4-dimethylphenyl)-methylcarbamoyl]amino]-3-methoxybutanoic acid
CID 103159203
(2S)-2-[[(4-methoxyphenyl)-methylcarbamoyl]amino]propanoic acid
CID 62002877
(2S)-3-hydroxy-2-[[(4-methoxyphenyl)-methylcarbamoyl]amino]propanoic acid
CID 62001547
3-[[(4-methoxyphenyl)-methylcarbamoyl]amino]-3-methylbutanoic acid
CID 64699727
(2R)-4-amino-2-[[(4-methoxyphenyl)-methylcarbamoyl]amino]-4-oxobutanoic acid
CID 107827374
1-(4-methoxyphenyl)-1,3-dimethylurea
CID 116655338
(2S)-2-[[(4-methoxyphenyl)-methylcarbamoyl]amino]-3-methylpentanoic acid
CID 62001738
3-methoxy-4-[3-(4-methylphenoxy)propanoylamino]butanoic acid
CID 103153206
3-methoxy-4-[[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]butanoic acid
CID 103159623
4-[(2-fluoro-5-methoxyphenyl)carbamoylamino]-3-methoxybutanoic acid
CID 103159652

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[[(4-methoxyphenyl)-methylcarbamoyl]amino]butanoic acid?
The IUPAC name of 3-methoxy-4-[[(4-methoxyphenyl)-methylcarbamoyl]amino]butanoic acid (CID 103159199) is 3-methoxy-4-[[(4-methoxyphenyl)-methylcarbamoyl]amino]butanoic acid.
What is the SMILES notation for 3-methoxy-4-[[(4-methoxyphenyl)-methylcarbamoyl]amino]butanoic acid?
The canonical SMILES for 3-methoxy-4-[[(4-methoxyphenyl)-methylcarbamoyl]amino]butanoic acid is COc1ccc(N(C)C(=O)NCC(CC(=O)O)OC)cc1.
What is the InChIKey of 3-methoxy-4-[[(4-methoxyphenyl)-methylcarbamoyl]amino]butanoic acid?
The InChIKey is NADPOQZVELRIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-16(10-4-6-11(20-2)7-5-10)14(19)15-9-12(21-3)8-13(17)18/h4-7,12H,8-9H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 3-methoxy-4-[[(4-methoxyphenyl)-methylcarbamoyl]amino]butanoic acid?
3-methoxy-4-[[(4-methoxyphenyl)-methylcarbamoyl]amino]butanoic acid has a molecular weight of 296.32 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[[(4-methoxyphenyl)-methylcarbamoyl]amino]butanoic acid is sourced from PubChem (CID 103159199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).