3-[[2-(4-butylphenyl)acetyl]amino]butanoic acid

C16H23NO3 — CID 43172656

IUPAC3-[[2-(4-butylphenyl)acetyl]amino]butanoic acid
SMILESCCCCc1ccc(CC(=O)NC(C)CC(=O)O)cc1
InChIInChI=1S/C16H23NO3/c1-3-4-5-13-6-8-14(9-7-13)11-15(18)17-12(2)10-16(19)20/h6-9,12H,3-5,10-11H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyCYEHSTBCMHQCIL-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.55
Rot. Bonds8

About 3-[[2-(4-butylphenyl)acetyl]amino]butanoic acid

3-[[2-(4-butylphenyl)acetyl]amino]butanoic acid (PubChem CID 43172656) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 3-[[2-(4-butylphenyl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name3-[[2-(4-butylphenyl)acetyl]amino]butanoic acid
PubChem CID43172656
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name3-[[2-(4-butylphenyl)acetyl]amino]butanoic acid
SMILESCCCCc1ccc(CC(=O)NC(C)CC(=O)O)cc1
InChIInChI=1S/C16H23NO3/c1-3-4-5-13-6-8-14(9-7-13)11-15(18)17-12(2)10-16(19)20/h6-9,12H,3-5,10-11H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyCYEHSTBCMHQCIL-UHFFFAOYSA-N
XLogP2.55
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-[[2-(4-bromophenyl)acetyl]amino]butanoic acid
CID 93262777
3-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]butanoic acid
CID 119220881
2-(4-butylphenyl)-N-(2-methylpropyl)acetamide
CID 60656279
(2S)-3-[[2-(4-butylphenyl)acetyl]amino]-2-hydroxypropanoic acid
CID 107832968
3-[[2-(4-butylphenyl)acetyl]amino]-2-methylpropanoic acid
CID 62674607
N-hexan-2-yl-2-(4-sulfanylphenyl)acetamide
CID 107028010
5-(4-butylphenyl)-3-methyl-5-oxopentanoic acid
CID 2757308
3-[3-(4-propan-2-ylphenyl)propanoylamino]butanoic acid
CID 119221299
3-(4-butylanilino)pentanoic acid
CID 70616353
5-(4-butylphenyl)-4-oxo-3-sulfopentanoic acid
CID 90076006
methyl 2-[[2-(4-butylphenyl)acetyl]amino]-3-hydroxypropanoate
CID 43408407
2-(4-butylphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65037146

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-butylphenyl)acetyl]amino]butanoic acid?
The IUPAC name of 3-[[2-(4-butylphenyl)acetyl]amino]butanoic acid (CID 43172656) is 3-[[2-(4-butylphenyl)acetyl]amino]butanoic acid.
What is the SMILES notation for 3-[[2-(4-butylphenyl)acetyl]amino]butanoic acid?
The canonical SMILES for 3-[[2-(4-butylphenyl)acetyl]amino]butanoic acid is CCCCc1ccc(CC(=O)NC(C)CC(=O)O)cc1.
What is the InChIKey of 3-[[2-(4-butylphenyl)acetyl]amino]butanoic acid?
The InChIKey is CYEHSTBCMHQCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-3-4-5-13-6-8-14(9-7-13)11-15(18)17-12(2)10-16(19)20/h6-9,12H,3-5,10-11H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 3-[[2-(4-butylphenyl)acetyl]amino]butanoic acid?
3-[[2-(4-butylphenyl)acetyl]amino]butanoic acid has a molecular weight of 277.36 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-butylphenyl)acetyl]amino]butanoic acid is sourced from PubChem (CID 43172656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).