2-[cyclopropyl-[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]propanoic acid

C18H23NO5 — CID 120686387

IUPAC2-[cyclopropyl-[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]propanoic acid
SMILESCOc1ccc(C(=O)CCCC(=O)N(C2CC2)C(C)C(=O)O)cc1
InChIInChI=1S/C18H23NO5/c1-12(18(22)23)19(14-8-9-14)17(21)5-3-4-16(20)13-6-10-15(24-2)11-7-13/h6-7,10-12,14H,3-5,8-9H2,1-2H3,(H,22,23)
InChIKeyUJOYINOBHHDBQJ-UHFFFAOYSA-N
MW333.38 g/mol
LogP2.51
Rot. Bonds9

About 2-[cyclopropyl-[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]propanoic acid

2-[cyclopropyl-[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]propanoic acid (PubChem CID 120686387) has the molecular formula C18H23NO5 and a molecular weight of 333.38 g/mol. Its IUPAC name is 2-[cyclopropyl-[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]propanoic acid
PubChem CID120686387
Molecular FormulaC18H23NO5
Molecular Weight333.38 g/mol
Exact Mass333.16
IUPAC Name2-[cyclopropyl-[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]propanoic acid
SMILESCOc1ccc(C(=O)CCCC(=O)N(C2CC2)C(C)C(=O)O)cc1
InChIInChI=1S/C18H23NO5/c1-12(18(22)23)19(14-8-9-14)17(21)5-3-4-16(20)13-6-10-15(24-2)11-7-13/h6-7,10-12,14H,3-5,8-9H2,1-2H3,(H,22,23)
InChIKeyUJOYINOBHHDBQJ-UHFFFAOYSA-N
XLogP2.51
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl-[4-(4-methylphenyl)-4-oxobutanoyl]amino]propanoic acid
CID 119202169
3-[[5-(4-methoxyphenyl)-5-oxopentanoyl]-methylamino]-2-methylpropanoic acid
CID 120687229
2-[cyclopropyl-[2-(4-methoxyphenyl)propanoyl]amino]propanoic acid
CID 119203577
2-[cyclopropyl-[3-(4-methoxycarbonylphenyl)propanoyl]amino]propanoic acid
CID 122067383
2-[cyclopropyl-[2-(7-methoxynaphthalen-1-yl)acetyl]amino]propanoic acid
CID 120519197
5-(4-methoxyphenyl)-N-methyl-5-oxo-N-phenylpentanamide
CID 110298230
1,9-bis(4-methoxyphenyl)nonane-1,9-dione
CID 3499009
2-[cyclopropyl(4-ethoxybutanoyl)amino]propanoic acid
CID 119203177
7-(4-methoxyphenyl)-N-methyl-7-oxo-N-[(1S)-1-phenylethyl]heptanamide
CID 99792882
N-benzyl-N-butan-2-yl-5-(4-methoxyphenyl)-5-oxopentanamide
CID 56536444
N-ethyl-5-(4-methoxyphenyl)-5-oxo-N-phenylpentanamide
CID 110298239
2-[cyclopropyl-[5-(4-methylphenyl)pentanoyl]amino]propanoic acid
CID 119202829

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl-[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]propanoic acid (CID 120686387) is 2-[cyclopropyl-[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl-[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl-[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]propanoic acid is COc1ccc(C(=O)CCCC(=O)N(C2CC2)C(C)C(=O)O)cc1.
What is the InChIKey of 2-[cyclopropyl-[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]propanoic acid?
The InChIKey is UJOYINOBHHDBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO5/c1-12(18(22)23)19(14-8-9-14)17(21)5-3-4-16(20)13-6-10-15(24-2)11-7-13/h6-7,10-12,14H,3-5,8-9H2,1-2H3,(H,22,23).
What are the key properties of 2-[cyclopropyl-[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]propanoic acid?
2-[cyclopropyl-[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]propanoic acid has a molecular weight of 333.38 g/mol, XLogP of 2.51, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]propanoic acid is sourced from PubChem (CID 120686387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).