methyl 3-[[2-(4-butylphenyl)acetyl]amino]-2-hydroxypropanoate

C16H23NO4 — CID 103879388

IUPACmethyl 3-[[2-(4-butylphenyl)acetyl]amino]-2-hydroxypropanoate
SMILESCCCCc1ccc(CC(=O)NCC(O)C(=O)OC)cc1
InChIInChI=1S/C16H23NO4/c1-3-4-5-12-6-8-13(9-7-12)10-15(19)17-11-14(18)16(20)21-2/h6-9,14,18H,3-5,10-11H2,1-2H3,(H,17,19)
InChIKeyGNFUXIISGCHUBP-UHFFFAOYSA-N
MW293.36 g/mol
LogP1.22
Rot. Bonds8

About methyl 3-[[2-(4-butylphenyl)acetyl]amino]-2-hydroxypropanoate

methyl 3-[[2-(4-butylphenyl)acetyl]amino]-2-hydroxypropanoate (PubChem CID 103879388) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is methyl 3-[[2-(4-butylphenyl)acetyl]amino]-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-[[2-(4-butylphenyl)acetyl]amino]-2-hydroxypropanoate
PubChem CID103879388
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Namemethyl 3-[[2-(4-butylphenyl)acetyl]amino]-2-hydroxypropanoate
SMILESCCCCc1ccc(CC(=O)NCC(O)C(=O)OC)cc1
InChIInChI=1S/C16H23NO4/c1-3-4-5-12-6-8-13(9-7-12)10-15(19)17-11-14(18)16(20)21-2/h6-9,14,18H,3-5,10-11H2,1-2H3,(H,17,19)
InChIKeyGNFUXIISGCHUBP-UHFFFAOYSA-N
XLogP1.22
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-[[2-(4-butylphenyl)acetyl]amino]-2-hydroxypropanoic acid
CID 107832968
methyl 3-[[2-(4-fluorophenyl)acetyl]amino]-2-hydroxypropanoate
CID 113344194
2-(4-butylphenyl)-N-(2-methylpropyl)acetamide
CID 60656279
methyl 3-[3-(4-ethylphenyl)propanoylamino]-2-hydroxypropanoate
CID 103879309
methyl 2-hydroxy-3-[(2-pyridin-4-ylacetyl)amino]propanoate
CID 103960996
2-(4-butylphenyl)-N-methoxyacetamide
CID 60701248
3-[[2-(4-butylphenyl)acetyl]amino]-2-methylpropanoic acid
CID 62674607
2-(4-butylphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65037146
methyl 3-[[2-(3,4-dimethylphenyl)acetyl]amino]-2-hydroxypropanoate
CID 103957745
methyl 2-[[2-(4-butylphenyl)acetyl]amino]-3-hydroxypropanoate
CID 43408407
methyl 2-hydroxy-3-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]propanoate
CID 103879287
methyl 2-(4-butylphenyl)acetate
CID 10442975

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(4-butylphenyl)acetyl]amino]-2-hydroxypropanoate?
The IUPAC name of methyl 3-[[2-(4-butylphenyl)acetyl]amino]-2-hydroxypropanoate (CID 103879388) is methyl 3-[[2-(4-butylphenyl)acetyl]amino]-2-hydroxypropanoate.
What is the SMILES notation for methyl 3-[[2-(4-butylphenyl)acetyl]amino]-2-hydroxypropanoate?
The canonical SMILES for methyl 3-[[2-(4-butylphenyl)acetyl]amino]-2-hydroxypropanoate is CCCCc1ccc(CC(=O)NCC(O)C(=O)OC)cc1.
What is the InChIKey of methyl 3-[[2-(4-butylphenyl)acetyl]amino]-2-hydroxypropanoate?
The InChIKey is GNFUXIISGCHUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-3-4-5-12-6-8-13(9-7-12)10-15(19)17-11-14(18)16(20)21-2/h6-9,14,18H,3-5,10-11H2,1-2H3,(H,17,19).
What are the key properties of methyl 3-[[2-(4-butylphenyl)acetyl]amino]-2-hydroxypropanoate?
methyl 3-[[2-(4-butylphenyl)acetyl]amino]-2-hydroxypropanoate has a molecular weight of 293.36 g/mol, XLogP of 1.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(4-butylphenyl)acetyl]amino]-2-hydroxypropanoate is sourced from PubChem (CID 103879388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).