2-[4-(cyclopentylcarbamoylamino)phenoxy]acetic acid

C14H18N2O4 — CID 63772718

IUPAC2-[4-(cyclopentylcarbamoylamino)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(NC(=O)NC2CCCC2)cc1
InChIInChI=1S/C14H18N2O4/c17-13(18)9-20-12-7-5-11(6-8-12)16-14(19)15-10-3-1-2-4-10/h5-8,10H,1-4,9H2,(H,17,18)(H2,15,16,19)
InChIKeyPATRKBWMLQQOOK-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.21
Rot. Bonds5

About 2-[4-(cyclopentylcarbamoylamino)phenoxy]acetic acid

2-[4-(cyclopentylcarbamoylamino)phenoxy]acetic acid (PubChem CID 63772718) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[4-(cyclopentylcarbamoylamino)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-(cyclopentylcarbamoylamino)phenoxy]acetic acid
PubChem CID63772718
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-[4-(cyclopentylcarbamoylamino)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(NC(=O)NC2CCCC2)cc1
InChIInChI=1S/C14H18N2O4/c17-13(18)9-20-12-7-5-11(6-8-12)16-14(19)15-10-3-1-2-4-10/h5-8,10H,1-4,9H2,(H,17,18)(H2,15,16,19)
InChIKeyPATRKBWMLQQOOK-UHFFFAOYSA-N
XLogP2.21
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(cyclohexylcarbamoylamino)phenoxy]acetic acid
CID 61057844
1-cyclopentyl-3-(4-propoxyphenyl)urea
CID 110774502
1-cycloheptyl-3-[4-(2-methoxyethoxy)phenyl]urea
CID 47033897
2-[4-(cyclopropylmethylcarbamoylamino)phenoxy]acetic acid
CID 55242463
1-cyclopropyl-3-(4-ethoxyphenyl)urea
CID 17264486
1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-cyclopentylurea
CID 108987888
1-cyclobutyl-3-(4-phenoxyphenyl)urea
CID 23959001
1-cyclopentyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]urea
CID 110774513
2-(4-acetamidophenoxy)-N-cyclooctylacetamide
CID 112774945
4-(cyclooctylcarbamoylamino)benzoic acid
CID 61181422
2-[4-(1-cyclopropylethylcarbamoylamino)phenoxy]acetic acid
CID 63773425
1-cyclohexyl-3-[4-(cyclohexylamino)phenyl]urea
CID 112980754

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopentylcarbamoylamino)phenoxy]acetic acid?
The IUPAC name of 2-[4-(cyclopentylcarbamoylamino)phenoxy]acetic acid (CID 63772718) is 2-[4-(cyclopentylcarbamoylamino)phenoxy]acetic acid.
What is the SMILES notation for 2-[4-(cyclopentylcarbamoylamino)phenoxy]acetic acid?
The canonical SMILES for 2-[4-(cyclopentylcarbamoylamino)phenoxy]acetic acid is O=C(O)COc1ccc(NC(=O)NC2CCCC2)cc1.
What is the InChIKey of 2-[4-(cyclopentylcarbamoylamino)phenoxy]acetic acid?
The InChIKey is PATRKBWMLQQOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c17-13(18)9-20-12-7-5-11(6-8-12)16-14(19)15-10-3-1-2-4-10/h5-8,10H,1-4,9H2,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[4-(cyclopentylcarbamoylamino)phenoxy]acetic acid?
2-[4-(cyclopentylcarbamoylamino)phenoxy]acetic acid has a molecular weight of 278.31 g/mol, XLogP of 2.21, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopentylcarbamoylamino)phenoxy]acetic acid is sourced from PubChem (CID 63772718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).