5-cyclohexyl-4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]pentanoic acid

C21H29NO5 — CID 122056584

IUPAC5-cyclohexyl-4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]pentanoic acid
SMILESO=C(O)CCC(CC1CCCCC1)NC(=O)Cc1ccc2c(c1)OCCO2
InChIInChI=1S/C21H29NO5/c23-20(14-16-6-8-18-19(13-16)27-11-10-26-18)22-17(7-9-21(24)25)12-15-4-2-1-3-5-15/h6,8,13,15,17H,1-5,7,9-12,14H2,(H,22,23)(H,24,25)
InChIKeyKUIZRJHRICMTPH-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.32
Rot. Bonds8

About 5-cyclohexyl-4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]pentanoic acid

5-cyclohexyl-4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]pentanoic acid (PubChem CID 122056584) has the molecular formula C21H29NO5 and a molecular weight of 375.47 g/mol. Its IUPAC name is 5-cyclohexyl-4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-cyclohexyl-4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]pentanoic acid
PubChem CID122056584
Molecular FormulaC21H29NO5
Molecular Weight375.47 g/mol
Exact Mass375.20
IUPAC Name5-cyclohexyl-4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]pentanoic acid
SMILESO=C(O)CCC(CC1CCCCC1)NC(=O)Cc1ccc2c(c1)OCCO2
InChIInChI=1S/C21H29NO5/c23-20(14-16-6-8-18-19(13-16)27-11-10-26-18)22-17(7-9-21(24)25)12-15-4-2-1-3-5-15/h6,8,13,15,17H,1-5,7,9-12,14H2,(H,22,23)(H,24,25)
InChIKeyKUIZRJHRICMTPH-UHFFFAOYSA-N
XLogP3.32
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-cyclohexyl-4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-cyclohexyl-4-(oxolane-2-carbonylamino)pentanoic acid
CID 122056439
N-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 17392024
5-cyclohexyl-4-[(2-cyclopentylsulfonylacetyl)amino]pentanoic acid
CID 122056704
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 51606566
4-[(2-cyclohexylacetyl)amino]-5-phenylpentanoic acid
CID 120546889
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 46451961
1-[[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544014
5-cyclohexyl-4-[(2-propylsulfonylacetyl)amino]pentanoic acid
CID 122056716
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-propan-2-ylpropanamide
CID 18121372
4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-4-oxobutanoic acid
CID 9152135
5-cyclohexyl-4-[(1-methyl-2-oxoquinoline-4-carbonyl)amino]pentanoic acid
CID 122056451
N-cyclooctyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide
CID 86944075

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]pentanoic acid?
The IUPAC name of 5-cyclohexyl-4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]pentanoic acid (CID 122056584) is 5-cyclohexyl-4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]pentanoic acid.
What is the SMILES notation for 5-cyclohexyl-4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]pentanoic acid?
The canonical SMILES for 5-cyclohexyl-4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]pentanoic acid is O=C(O)CCC(CC1CCCCC1)NC(=O)Cc1ccc2c(c1)OCCO2.
What is the InChIKey of 5-cyclohexyl-4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]pentanoic acid?
The InChIKey is KUIZRJHRICMTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO5/c23-20(14-16-6-8-18-19(13-16)27-11-10-26-18)22-17(7-9-21(24)25)12-15-4-2-1-3-5-15/h6,8,13,15,17H,1-5,7,9-12,14H2,(H,22,23)(H,24,25).
What are the key properties of 5-cyclohexyl-4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]pentanoic acid?
5-cyclohexyl-4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]pentanoic acid has a molecular weight of 375.47 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]pentanoic acid is sourced from PubChem (CID 122056584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).