2-hydroxy-4-[2-(3-methoxyphenyl)ethylcarbamoylamino]butanoic acid

C14H20N2O5 — CID 107843133

IUPAC2-hydroxy-4-[2-(3-methoxyphenyl)ethylcarbamoylamino]butanoic acid
SMILESCOc1cccc(CCNC(=O)NCCC(O)C(=O)O)c1
InChIInChI=1S/C14H20N2O5/c1-21-11-4-2-3-10(9-11)5-7-15-14(20)16-8-6-12(17)13(18)19/h2-4,9,12,17H,5-8H2,1H3,(H,18,19)(H2,15,16,20)
InChIKeyBNFVIIOIUDAKMO-UHFFFAOYSA-N
MW296.32 g/mol
LogP0.37
Rot. Bonds8

About 2-hydroxy-4-[2-(3-methoxyphenyl)ethylcarbamoylamino]butanoic acid

2-hydroxy-4-[2-(3-methoxyphenyl)ethylcarbamoylamino]butanoic acid (PubChem CID 107843133) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 2-hydroxy-4-[2-(3-methoxyphenyl)ethylcarbamoylamino]butanoic acid.

Molecular Properties

Compound Name2-hydroxy-4-[2-(3-methoxyphenyl)ethylcarbamoylamino]butanoic acid
PubChem CID107843133
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name2-hydroxy-4-[2-(3-methoxyphenyl)ethylcarbamoylamino]butanoic acid
SMILESCOc1cccc(CCNC(=O)NCCC(O)C(=O)O)c1
InChIInChI=1S/C14H20N2O5/c1-21-11-4-2-3-10(9-11)5-7-15-14(20)16-8-6-12(17)13(18)19/h2-4,9,12,17H,5-8H2,1H3,(H,18,19)(H2,15,16,20)
InChIKeyBNFVIIOIUDAKMO-UHFFFAOYSA-N
XLogP0.37
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 50.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[2-(3-methoxyphenyl)ethylcarbamoylamino]pentanoic acid
CID 107843103
methyl 3-[2-(3-methoxyphenyl)ethylcarbamoylamino]propanoate
CID 108901083
2-[2-(3-methoxyphenyl)ethylcarbamoylamino]butanoic acid
CID 103996278
2-[2-(3-methoxyphenyl)ethylcarbamoylamino]-3-methylbutanoic acid
CID 108900910
3-[2-(3-methoxyphenyl)ethylcarbamoylamino]-2,2-dimethylpropanoic acid
CID 107843109
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 111536720
1-[2-(2,6-dimethylphenoxy)ethyl]-3-[2-(3-methoxyphenyl)ethyl]urea
CID 112973291
1-[2-(3-methoxyphenyl)ethyl]-3-(1-phenylethyl)urea
CID 86992683
1-[2-(3-hydroxyphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 60602886
N-[2-(3-methoxyphenyl)ethyl]-2-oxopropanamide
CID 110478240
1-[2-(4-methoxyphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 51290894
4-[2-(3-methoxyphenyl)ethylcarbamoylamino]-4-oxobutanoic acid
CID 107855890

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[2-(3-methoxyphenyl)ethylcarbamoylamino]butanoic acid?
The IUPAC name of 2-hydroxy-4-[2-(3-methoxyphenyl)ethylcarbamoylamino]butanoic acid (CID 107843133) is 2-hydroxy-4-[2-(3-methoxyphenyl)ethylcarbamoylamino]butanoic acid.
What is the SMILES notation for 2-hydroxy-4-[2-(3-methoxyphenyl)ethylcarbamoylamino]butanoic acid?
The canonical SMILES for 2-hydroxy-4-[2-(3-methoxyphenyl)ethylcarbamoylamino]butanoic acid is COc1cccc(CCNC(=O)NCCC(O)C(=O)O)c1.
What is the InChIKey of 2-hydroxy-4-[2-(3-methoxyphenyl)ethylcarbamoylamino]butanoic acid?
The InChIKey is BNFVIIOIUDAKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-21-11-4-2-3-10(9-11)5-7-15-14(20)16-8-6-12(17)13(18)19/h2-4,9,12,17H,5-8H2,1H3,(H,18,19)(H2,15,16,20).
What are the key properties of 2-hydroxy-4-[2-(3-methoxyphenyl)ethylcarbamoylamino]butanoic acid?
2-hydroxy-4-[2-(3-methoxyphenyl)ethylcarbamoylamino]butanoic acid has a molecular weight of 296.32 g/mol, XLogP of 0.37, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[2-(3-methoxyphenyl)ethylcarbamoylamino]butanoic acid is sourced from PubChem (CID 107843133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).