(2R)-2-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]-3-phenylpropanoic acid

C21H23NO5 — CID 119367142

IUPAC(2R)-2-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]-3-phenylpropanoic acid
SMILESCOc1ccc(C(=O)CCCC(=O)N[C@H](Cc2ccccc2)C(=O)O)cc1
InChIInChI=1S/C21H23NO5/c1-27-17-12-10-16(11-13-17)19(23)8-5-9-20(24)22-18(21(25)26)14-15-6-3-2-4-7-15/h2-4,6-7,10-13,18H,5,8-9,14H2,1H3,(H,22,24)(H,25,26)/t18-/m1/s1
InChIKeyHMZZAHDQZUGPAP-GOSISDBHSA-N
MW369.42 g/mol
LogP2.86
Rot. Bonds10

About (2R)-2-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]-3-phenylpropanoic acid

(2R)-2-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]-3-phenylpropanoic acid (PubChem CID 119367142) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is (2R)-2-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]-3-phenylpropanoic acid
PubChem CID119367142
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC Name(2R)-2-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]-3-phenylpropanoic acid
SMILESCOc1ccc(C(=O)CCCC(=O)N[C@H](Cc2ccccc2)C(=O)O)cc1
InChIInChI=1S/C21H23NO5/c1-27-17-12-10-16(11-13-17)19(23)8-5-9-20(24)22-18(21(25)26)14-15-6-3-2-4-7-15/h2-4,6-7,10-13,18H,5,8-9,14H2,1H3,(H,22,24)(H,25,26)/t18-/m1/s1
InChIKeyHMZZAHDQZUGPAP-GOSISDBHSA-N
XLogP2.86
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(4-methoxybenzoyl)amino]-3-phenylpropanoic acid
CID 919358
2-[(4-oxo-4-phenylbutanoyl)amino]-3-phenylpropanoic acid
CID 13294988
(2S)-2-[[10-[[(1S)-1-carboxy-2-phenylethyl]amino]-10-oxodecanoyl]amino]-3-phenylpropanoic acid
CID 22869856
(2R)-2-[[10-[[(1S)-1-carboxy-2-phenylethyl]amino]-10-oxodecanoyl]amino]-3-phenylpropanoic acid
CID 27154395
N-[(2S)-4-[4-(2-hydroxyacetyl)phenyl]-1-(4-methoxyphenyl)-3-oxobutan-2-yl]-2-phenylacetamide
CID 159198545
2-[(2-methoxyacetyl)amino]-3-phenylpropanoic acid
CID 16774532
3-phenyl-2-(undecanoylamino)propanoic acid
CID 71318408
(2S)-2-(nonadecanoylamino)-3-phenylpropanoic acid
CID 171116992
(2R)-2-(dodecanoylamino)-3-phenylpropanoic acid
CID 10936951
2-(dodecanoylamino)-3-phenylpropanoic acid
CID 14509918
N-(4-anilinophenyl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 52710157
2-[3-(4-methoxyphenyl)pentanoylamino]-3-phenylpropanoic acid
CID 120684248

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]-3-phenylpropanoic acid?
The IUPAC name of (2R)-2-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]-3-phenylpropanoic acid (CID 119367142) is (2R)-2-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]-3-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]-3-phenylpropanoic acid?
The canonical SMILES for (2R)-2-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]-3-phenylpropanoic acid is COc1ccc(C(=O)CCCC(=O)N[C@H](Cc2ccccc2)C(=O)O)cc1.
What is the InChIKey of (2R)-2-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]-3-phenylpropanoic acid?
The InChIKey is HMZZAHDQZUGPAP-GOSISDBHSA-N. The full InChI is InChI=1S/C21H23NO5/c1-27-17-12-10-16(11-13-17)19(23)8-5-9-20(24)22-18(21(25)26)14-15-6-3-2-4-7-15/h2-4,6-7,10-13,18H,5,8-9,14H2,1H3,(H,22,24)(H,25,26)/t18-/m1/s1.
What are the key properties of (2R)-2-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]-3-phenylpropanoic acid?
(2R)-2-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]-3-phenylpropanoic acid has a molecular weight of 369.42 g/mol, XLogP of 2.86, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]-3-phenylpropanoic acid is sourced from PubChem (CID 119367142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).