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

C16H23NO4 — CID 43408407

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

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

methyl 2-[[2-(4-butylphenyl)acetyl]amino]-3-hydroxypropanoate (PubChem CID 43408407) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is methyl 2-[[2-(4-butylphenyl)acetyl]amino]-3-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 2-[[2-(4-butylphenyl)acetyl]amino]-3-hydroxypropanoate
PubChem CID43408407
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Namemethyl 2-[[2-(4-butylphenyl)acetyl]amino]-3-hydroxypropanoate
SMILESCCCCc1ccc(CC(=O)NC(CO)C(=O)OC)cc1
InChIInChI=1S/C16H23NO4/c1-3-4-5-12-6-8-13(9-7-12)10-15(19)17-14(11-18)16(20)21-2/h6-9,14,18H,3-5,10-11H2,1-2H3,(H,17,19)
InChIKeyLEGULGHOQDCKMP-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

2-(4-butylphenyl)-N-methoxyacetamide
CID 60701248
methyl 2-acetamido-3-(4-butylphenoxy)propanoate
CID 115492132
methyl 3-[[2-(4-butylphenyl)acetyl]amino]-2-hydroxypropanoate
CID 103879388
methyl 3-hydroxy-2-(3-phenylpropanoylamino)propanoate
CID 19957018
methyl 2-(4-butylphenyl)acetate
CID 10442975
3-[[2-(4-butylphenyl)acetyl]amino]butanoic acid
CID 43172656
methyl 2-acetamido-3-(4-butylanilino)propanoate
CID 103237589
methyl 2-[[2-[(4-butoxybenzoyl)amino]acetyl]amino]-3-hydroxypropanoate
CID 75413045
2-(4-butylphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65037146
methyl (2R)-3-hydroxy-2-[[5-[[(2R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]amino]-5-oxopentanoyl]amino]propanoate
CID 90449496
methyl 2-[[2-(2,4-dichlorophenyl)acetyl]amino]-3-hydroxypropanoate
CID 43405682
methyl 3-hydroxy-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanoate
CID 43405710

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(4-butylphenyl)acetyl]amino]-3-hydroxypropanoate?
The IUPAC name of methyl 2-[[2-(4-butylphenyl)acetyl]amino]-3-hydroxypropanoate (CID 43408407) is methyl 2-[[2-(4-butylphenyl)acetyl]amino]-3-hydroxypropanoate.
What is the SMILES notation for methyl 2-[[2-(4-butylphenyl)acetyl]amino]-3-hydroxypropanoate?
The canonical SMILES for methyl 2-[[2-(4-butylphenyl)acetyl]amino]-3-hydroxypropanoate is CCCCc1ccc(CC(=O)NC(CO)C(=O)OC)cc1.
What is the InChIKey of methyl 2-[[2-(4-butylphenyl)acetyl]amino]-3-hydroxypropanoate?
The InChIKey is LEGULGHOQDCKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-3-4-5-12-6-8-13(9-7-12)10-15(19)17-14(11-18)16(20)21-2/h6-9,14,18H,3-5,10-11H2,1-2H3,(H,17,19).
What are the key properties of methyl 2-[[2-(4-butylphenyl)acetyl]amino]-3-hydroxypropanoate?
methyl 2-[[2-(4-butylphenyl)acetyl]amino]-3-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 2-[[2-(4-butylphenyl)acetyl]amino]-3-hydroxypropanoate is sourced from PubChem (CID 43408407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).