3-[[4-(2-cyclopentyloxybutanoylamino)benzoyl]amino]propanoic acid

C19H26N2O5 — CID 119222959

IUPAC3-[[4-(2-cyclopentyloxybutanoylamino)benzoyl]amino]propanoic acid
SMILESCCC(OC1CCCC1)C(=O)Nc1ccc(C(=O)NCCC(=O)O)cc1
InChIInChI=1S/C19H26N2O5/c1-2-16(26-15-5-3-4-6-15)19(25)21-14-9-7-13(8-10-14)18(24)20-12-11-17(22)23/h7-10,15-16H,2-6,11-12H2,1H3,(H,20,24)(H,21,25)(H,22,23)
InChIKeyWDECUCUYRCNOAE-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.57
Rot. Bonds9

About 3-[[4-(2-cyclopentyloxybutanoylamino)benzoyl]amino]propanoic acid

3-[[4-(2-cyclopentyloxybutanoylamino)benzoyl]amino]propanoic acid (PubChem CID 119222959) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-[[4-(2-cyclopentyloxybutanoylamino)benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[4-(2-cyclopentyloxybutanoylamino)benzoyl]amino]propanoic acid
PubChem CID119222959
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Name3-[[4-(2-cyclopentyloxybutanoylamino)benzoyl]amino]propanoic acid
SMILESCCC(OC1CCCC1)C(=O)Nc1ccc(C(=O)NCCC(=O)O)cc1
InChIInChI=1S/C19H26N2O5/c1-2-16(26-15-5-3-4-6-15)19(25)21-14-9-7-13(8-10-14)18(24)20-12-11-17(22)23/h7-10,15-16H,2-6,11-12H2,1H3,(H,20,24)(H,21,25)(H,22,23)
InChIKeyWDECUCUYRCNOAE-UHFFFAOYSA-N
XLogP2.57
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-[2-(cyclopentylmethyl)butanoylamino]benzoyl]amino]propanoic acid
CID 119222956
3-[[4-[(2-methyl-3-methylsulfanylpropanoyl)amino]benzoyl]amino]propanoic acid
CID 119222954
3-[[4-[(2-cyclopentylsulfonylacetyl)amino]benzoyl]amino]propanoic acid
CID 119223026
3-[[4-(3-cyclopropylpropanoylamino)benzoyl]amino]propanoic acid
CID 119223043
3-[[4-[2-(4-cyclohexylphenyl)-3-(4-methylanilino)-3-oxopropyl]benzoyl]amino]propanoic acid
CID 67489002
3-[[4-[[2-(oxan-2-yl)acetyl]amino]benzoyl]amino]propanoic acid
CID 120687029
3-[[4-(methylamino)benzoyl]amino]propanoic acid
CID 119092205
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-2-cyclohexyloxybutanamide;hydrochloride
CID 120567004
3-[[4-[3-anilino-2-(4-cyclohexylphenyl)-3-oxopropyl]benzoyl]amino]propanoic acid
CID 20742322
3-[[4-[[2-(cyclohexylcarbamoylamino)acetyl]amino]benzoyl]amino]propanoic acid
CID 119223003
4-(cyclohexanecarbonylamino)-N-propylbenzamide
CID 17218748
N-[2-(cyclopropanecarbonylamino)ethyl]-4-(2-ethylbutanoylamino)benzamide
CID 121062485

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-cyclopentyloxybutanoylamino)benzoyl]amino]propanoic acid?
The IUPAC name of 3-[[4-(2-cyclopentyloxybutanoylamino)benzoyl]amino]propanoic acid (CID 119222959) is 3-[[4-(2-cyclopentyloxybutanoylamino)benzoyl]amino]propanoic acid.
What is the SMILES notation for 3-[[4-(2-cyclopentyloxybutanoylamino)benzoyl]amino]propanoic acid?
The canonical SMILES for 3-[[4-(2-cyclopentyloxybutanoylamino)benzoyl]amino]propanoic acid is CCC(OC1CCCC1)C(=O)Nc1ccc(C(=O)NCCC(=O)O)cc1.
What is the InChIKey of 3-[[4-(2-cyclopentyloxybutanoylamino)benzoyl]amino]propanoic acid?
The InChIKey is WDECUCUYRCNOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-2-16(26-15-5-3-4-6-15)19(25)21-14-9-7-13(8-10-14)18(24)20-12-11-17(22)23/h7-10,15-16H,2-6,11-12H2,1H3,(H,20,24)(H,21,25)(H,22,23).
What are the key properties of 3-[[4-(2-cyclopentyloxybutanoylamino)benzoyl]amino]propanoic acid?
3-[[4-(2-cyclopentyloxybutanoylamino)benzoyl]amino]propanoic acid has a molecular weight of 362.43 g/mol, XLogP of 2.57, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-cyclopentyloxybutanoylamino)benzoyl]amino]propanoic acid is sourced from PubChem (CID 119222959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).