5-morpholin-4-yl-2-naphthalen-1-yl-2-propan-2-ylpentanoic acid

C22H29NO3 — CID 23025

IUPAC5-morpholin-4-yl-2-naphthalen-1-yl-2-propan-2-ylpentanoic acid
SMILESCC(C)C(CCCN1CCOCC1)(C(=O)O)c1cccc2ccccc12
InChIInChI=1S/C22H29NO3/c1-17(2)22(21(24)25,11-6-12-23-13-15-26-16-14-23)20-10-5-8-18-7-3-4-9-19(18)20/h3-5,7-10,17H,6,11-16H2,1-2H3,(H,24,25)
InChIKeyYWGBWNSGRRIPCT-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.93
Rot. Bonds7

About 5-morpholin-4-yl-2-naphthalen-1-yl-2-propan-2-ylpentanoic acid

5-morpholin-4-yl-2-naphthalen-1-yl-2-propan-2-ylpentanoic acid (PubChem CID 23025) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is 5-morpholin-4-yl-2-naphthalen-1-yl-2-propan-2-ylpentanoic acid.

Molecular Properties

Compound Name5-morpholin-4-yl-2-naphthalen-1-yl-2-propan-2-ylpentanoic acid
PubChem CID23025
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC Name5-morpholin-4-yl-2-naphthalen-1-yl-2-propan-2-ylpentanoic acid
SMILESCC(C)C(CCCN1CCOCC1)(C(=O)O)c1cccc2ccccc12
InChIInChI=1S/C22H29NO3/c1-17(2)22(21(24)25,11-6-12-23-13-15-26-16-14-23)20-10-5-8-18-7-3-4-9-19(18)20/h3-5,7-10,17H,6,11-16H2,1-2H3,(H,24,25)
InChIKeyYWGBWNSGRRIPCT-UHFFFAOYSA-N
XLogP3.93
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(diethylamino)ethyl]-3-methyl-2-naphthalen-1-ylbutanoic acid;hydrochloride
CID 138400958
3-methyl-2-(1-morpholin-4-ylethyl)-2-naphthalen-1-ylpentanoic acid;hydrochloride
CID 20978089
2,2-dimethyl-5-morpholin-4-ylpentanoic acid
CID 65254938
naphthalen-1-yl 3-morpholin-4-ylpropanoate
CID 68790783
4-[[3-morpholin-4-ylpropyl(1-naphthalen-1-ylethylcarbamoyl)amino]methyl]benzoic acid
CID 69242484
1-ethyl-1-(3-morpholin-4-ylpropyl)-3-[(1S)-1-naphthalen-1-ylethyl]urea
CID 71056228
6-morpholin-4-yl-1,1-diphenylhexan-3-one
CID 159280130
4-[3-[12-(3-morpholin-4-ylpropyl)tetracen-5-yl]propyl]morpholine
CID 170870035
(2R)-N-(3-morpholin-4-ylpropyl)-2-naphthalen-1-yloxybutanamide
CID 38018264
2,2-dimethyl-6-morpholin-4-ylhexanoic acid
CID 106713869
7-methyl-1-(3-morpholin-4-ylpropyl)indole-3-carboxylic acid
CID 67255185
2-(3-morpholin-4-ylpropylamino)-1-phenylpropan-1-one
CID 82100038

Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-yl-2-naphthalen-1-yl-2-propan-2-ylpentanoic acid?
The IUPAC name of 5-morpholin-4-yl-2-naphthalen-1-yl-2-propan-2-ylpentanoic acid (CID 23025) is 5-morpholin-4-yl-2-naphthalen-1-yl-2-propan-2-ylpentanoic acid.
What is the SMILES notation for 5-morpholin-4-yl-2-naphthalen-1-yl-2-propan-2-ylpentanoic acid?
The canonical SMILES for 5-morpholin-4-yl-2-naphthalen-1-yl-2-propan-2-ylpentanoic acid is CC(C)C(CCCN1CCOCC1)(C(=O)O)c1cccc2ccccc12.
What is the InChIKey of 5-morpholin-4-yl-2-naphthalen-1-yl-2-propan-2-ylpentanoic acid?
The InChIKey is YWGBWNSGRRIPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3/c1-17(2)22(21(24)25,11-6-12-23-13-15-26-16-14-23)20-10-5-8-18-7-3-4-9-19(18)20/h3-5,7-10,17H,6,11-16H2,1-2H3,(H,24,25).
What are the key properties of 5-morpholin-4-yl-2-naphthalen-1-yl-2-propan-2-ylpentanoic acid?
5-morpholin-4-yl-2-naphthalen-1-yl-2-propan-2-ylpentanoic acid has a molecular weight of 355.48 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-yl-2-naphthalen-1-yl-2-propan-2-ylpentanoic acid is sourced from PubChem (CID 23025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).