4-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-4-phenylbutanoic acid

C19H25NO3 — CID 119201254

IUPAC4-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-4-phenylbutanoic acid
SMILESO=C(O)CCC(NC(=O)CC1CC2CCC1C2)c1ccccc1
InChIInChI=1S/C19H25NO3/c21-18(12-16-11-13-6-7-15(16)10-13)20-17(8-9-19(22)23)14-4-2-1-3-5-14/h1-5,13,15-17H,6-12H2,(H,20,21)(H,22,23)
InChIKeyIEYZSLPNQTXVPZ-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.54
Rot. Bonds7

About 4-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-4-phenylbutanoic acid

4-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-4-phenylbutanoic acid (PubChem CID 119201254) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 4-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-4-phenylbutanoic acid.

Molecular Properties

Compound Name4-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-4-phenylbutanoic acid
PubChem CID119201254
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name4-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-4-phenylbutanoic acid
SMILESO=C(O)CCC(NC(=O)CC1CC2CCC1C2)c1ccccc1
InChIInChI=1S/C19H25NO3/c21-18(12-16-11-13-6-7-15(16)10-13)20-17(8-9-19(22)23)14-4-2-1-3-5-14/h1-5,13,15-17H,6-12H2,(H,20,21)(H,22,23)
InChIKeyIEYZSLPNQTXVPZ-UHFFFAOYSA-N
XLogP3.54
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloro-1-phenylethyl)acetamide
CID 114300183
4-[(2-aminoacetyl)amino]-4-phenylbutanoic acid
CID 61161871
3-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-2-phenylpropanoic acid
CID 119254834
2-(2-bicyclo[2.2.1]heptanyl)-N-(1-hydroxy-3-phenylpropan-2-yl)acetamide
CID 63261025
[2-(benzhydrylamino)-2-oxoethyl] 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 2352480
N-benzyl-2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 7732664
2-(2-bicyclo[2.2.1]heptanyl)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 55576995
2-[[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 98298900
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]acetamide
CID 98727973
2-(2-bicyclo[2.2.1]heptanyl)-N-(1-pyridin-2-ylethyl)acetamide
CID 42905846
2-(2-bicyclo[2.2.1]heptanylmethylamino)-1-phenylethanol
CID 63681601
4-[[cyclopropyl(ethyl)carbamoyl]amino]-4-phenylbutanoic acid
CID 61195062

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-4-phenylbutanoic acid?
The IUPAC name of 4-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-4-phenylbutanoic acid (CID 119201254) is 4-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-4-phenylbutanoic acid.
What is the SMILES notation for 4-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-4-phenylbutanoic acid?
The canonical SMILES for 4-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-4-phenylbutanoic acid is O=C(O)CCC(NC(=O)CC1CC2CCC1C2)c1ccccc1.
What is the InChIKey of 4-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-4-phenylbutanoic acid?
The InChIKey is IEYZSLPNQTXVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c21-18(12-16-11-13-6-7-15(16)10-13)20-17(8-9-19(22)23)14-4-2-1-3-5-14/h1-5,13,15-17H,6-12H2,(H,20,21)(H,22,23).
What are the key properties of 4-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-4-phenylbutanoic acid?
4-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-4-phenylbutanoic acid has a molecular weight of 315.41 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-4-phenylbutanoic acid is sourced from PubChem (CID 119201254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).