3-(4-cyclopentyloxyphenyl)-3-(phenylcarbamoylamino)propanoic acid

C21H24N2O4 — CID 4917149

IUPAC3-(4-cyclopentyloxyphenyl)-3-(phenylcarbamoylamino)propanoic acid
SMILESO=C(O)CC(NC(=O)Nc1ccccc1)c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C21H24N2O4/c24-20(25)14-19(23-21(26)22-16-6-2-1-3-7-16)15-10-12-18(13-11-15)27-17-8-4-5-9-17/h1-3,6-7,10-13,17,19H,4-5,8-9,14H2,(H,24,25)(H2,22,23,26)
InChIKeyYWWULYYWWBKCME-UHFFFAOYSA-N
MW368.43 g/mol
LogP4.35
Rot. Bonds7

About 3-(4-cyclopentyloxyphenyl)-3-(phenylcarbamoylamino)propanoic acid

3-(4-cyclopentyloxyphenyl)-3-(phenylcarbamoylamino)propanoic acid (PubChem CID 4917149) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 3-(4-cyclopentyloxyphenyl)-3-(phenylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name3-(4-cyclopentyloxyphenyl)-3-(phenylcarbamoylamino)propanoic acid
PubChem CID4917149
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name3-(4-cyclopentyloxyphenyl)-3-(phenylcarbamoylamino)propanoic acid
SMILESO=C(O)CC(NC(=O)Nc1ccccc1)c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C21H24N2O4/c24-20(25)14-19(23-21(26)22-16-6-2-1-3-7-16)15-10-12-18(13-11-15)27-17-8-4-5-9-17/h1-3,6-7,10-13,17,19H,4-5,8-9,14H2,(H,24,25)(H2,22,23,26)
InChIKeyYWWULYYWWBKCME-UHFFFAOYSA-N
XLogP4.35
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopentyloxyphenyl)-3-(phenylcarbamoylamino)propanoic acid?
The IUPAC name of 3-(4-cyclopentyloxyphenyl)-3-(phenylcarbamoylamino)propanoic acid (CID 4917149) is 3-(4-cyclopentyloxyphenyl)-3-(phenylcarbamoylamino)propanoic acid.
What is the SMILES notation for 3-(4-cyclopentyloxyphenyl)-3-(phenylcarbamoylamino)propanoic acid?
The canonical SMILES for 3-(4-cyclopentyloxyphenyl)-3-(phenylcarbamoylamino)propanoic acid is O=C(O)CC(NC(=O)Nc1ccccc1)c1ccc(OC2CCCC2)cc1.
What is the InChIKey of 3-(4-cyclopentyloxyphenyl)-3-(phenylcarbamoylamino)propanoic acid?
The InChIKey is YWWULYYWWBKCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c24-20(25)14-19(23-21(26)22-16-6-2-1-3-7-16)15-10-12-18(13-11-15)27-17-8-4-5-9-17/h1-3,6-7,10-13,17,19H,4-5,8-9,14H2,(H,24,25)(H2,22,23,26).
What are the key properties of 3-(4-cyclopentyloxyphenyl)-3-(phenylcarbamoylamino)propanoic acid?
3-(4-cyclopentyloxyphenyl)-3-(phenylcarbamoylamino)propanoic acid has a molecular weight of 368.43 g/mol, XLogP of 4.35, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopentyloxyphenyl)-3-(phenylcarbamoylamino)propanoic acid is sourced from PubChem (CID 4917149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).