2-[4-(cyclopentylmethylcarbamoylamino)phenyl]acetic acid

C15H20N2O3 — CID 61197827

IUPAC2-[4-(cyclopentylmethylcarbamoylamino)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)NCC2CCCC2)cc1
InChIInChI=1S/C15H20N2O3/c18-14(19)9-11-5-7-13(8-6-11)17-15(20)16-10-12-3-1-2-4-12/h5-8,12H,1-4,9-10H2,(H,18,19)(H2,16,17,20)
InChIKeyCSHFBHYTPZHOKD-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.63
Rot. Bonds5

About 2-[4-(cyclopentylmethylcarbamoylamino)phenyl]acetic acid

2-[4-(cyclopentylmethylcarbamoylamino)phenyl]acetic acid (PubChem CID 61197827) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[4-(cyclopentylmethylcarbamoylamino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(cyclopentylmethylcarbamoylamino)phenyl]acetic acid
PubChem CID61197827
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[4-(cyclopentylmethylcarbamoylamino)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)NCC2CCCC2)cc1
InChIInChI=1S/C15H20N2O3/c18-14(19)9-11-5-7-13(8-6-11)17-15(20)16-10-12-3-1-2-4-12/h5-8,12H,1-4,9-10H2,(H,18,19)(H2,16,17,20)
InChIKeyCSHFBHYTPZHOKD-UHFFFAOYSA-N
XLogP2.63
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(cyclobutylmethylcarbamoylamino)phenyl]propanoic acid
CID 115340644
2-[3-(cyclobutylmethylcarbamoylamino)phenyl]acetic acid
CID 65345766
1-(cyclohexylmethyl)-3-(4-hydroxyphenyl)urea
CID 108902801
1-(cyclohexylmethyl)-3-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]urea
CID 60611862
1-(cyclobutylmethyl)-3-(4-propylphenyl)urea
CID 112824904
1-(cyclopentylmethyl)-3-(4-nitrophenyl)urea
CID 46494092
1-(cyclopropylmethyl)-3-(4-hydroxyphenyl)urea
CID 67194486
1-(cyclohexylmethyl)-3-(4-piperidin-1-ylphenyl)urea
CID 108902937
2-[4-(cyclopropylmethylcarbamoylamino)phenoxy]acetic acid
CID 55242463
1-(cyclopropylmethyl)-3-(4-iodophenyl)urea
CID 47032047
1-(cyclohexylmethyl)-3-[4-(2-thiomorpholin-4-ylethyl)phenyl]urea
CID 60606675
1-(cyclohexylmethyl)-3-(3,4-dichlorophenyl)urea
CID 5235617

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopentylmethylcarbamoylamino)phenyl]acetic acid?
The IUPAC name of 2-[4-(cyclopentylmethylcarbamoylamino)phenyl]acetic acid (CID 61197827) is 2-[4-(cyclopentylmethylcarbamoylamino)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(cyclopentylmethylcarbamoylamino)phenyl]acetic acid?
The canonical SMILES for 2-[4-(cyclopentylmethylcarbamoylamino)phenyl]acetic acid is O=C(O)Cc1ccc(NC(=O)NCC2CCCC2)cc1.
What is the InChIKey of 2-[4-(cyclopentylmethylcarbamoylamino)phenyl]acetic acid?
The InChIKey is CSHFBHYTPZHOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-14(19)9-11-5-7-13(8-6-11)17-15(20)16-10-12-3-1-2-4-12/h5-8,12H,1-4,9-10H2,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[4-(cyclopentylmethylcarbamoylamino)phenyl]acetic acid?
2-[4-(cyclopentylmethylcarbamoylamino)phenyl]acetic acid has a molecular weight of 276.34 g/mol, XLogP of 2.63, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopentylmethylcarbamoylamino)phenyl]acetic acid is sourced from PubChem (CID 61197827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).