2-[1-[2-[4-(cyanomethyl)anilino]-2-oxoethyl]cyclopentyl]acetic acid

C17H20N2O3 — CID 2811971

IUPAC2-[1-[2-[4-(cyanomethyl)anilino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESN#CCc1ccc(NC(=O)CC2(CC(=O)O)CCCC2)cc1
InChIInChI=1S/C17H20N2O3/c18-10-7-13-3-5-14(6-4-13)19-15(20)11-17(12-16(21)22)8-1-2-9-17/h3-6H,1-2,7-9,11-12H2,(H,19,20)(H,21,22)
InChIKeyQDOZGADLUXKUOW-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.12
Rot. Bonds6

About 2-[1-[2-[4-(cyanomethyl)anilino]-2-oxoethyl]cyclopentyl]acetic acid

2-[1-[2-[4-(cyanomethyl)anilino]-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 2811971) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[1-[2-[4-(cyanomethyl)anilino]-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[4-(cyanomethyl)anilino]-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID2811971
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name2-[1-[2-[4-(cyanomethyl)anilino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESN#CCc1ccc(NC(=O)CC2(CC(=O)O)CCCC2)cc1
InChIInChI=1S/C17H20N2O3/c18-10-7-13-3-5-14(6-4-13)19-15(20)11-17(12-16(21)22)8-1-2-9-17/h3-6H,1-2,7-9,11-12H2,(H,19,20)(H,21,22)
InChIKeyQDOZGADLUXKUOW-UHFFFAOYSA-N
XLogP3.12
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[4-(cyanomethyl)anilino]-2-oxoethoxy]acetic acid
CID 2811968
2-[1-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]cyclohexyl]acetic acid
CID 31616634
2-cyano-N-[4-(cyanomethyl)phenyl]acetamide
CID 10655606
N-[4-(cyanomethyl)phenyl]-2-phenylacetamide
CID 674697
2-(4-acetamidophenyl)-N-[4-(cyanomethyl)phenyl]acetamide
CID 26375554
2-[1-[2-[4-(furan-2-carbonylamino)anilino]-2-oxoethyl]cyclohexyl]acetic acid
CID 31265150
2-[1-[4-(cyanomethyl)phenyl]cyclohexyl]acetic acid
CID 154100557
N-[4-(cyanomethyl)phenyl]-2-piperidin-1-ylacetamide
CID 9032808
2-[1-[2-(3-iodo-4-methylanilino)-2-oxoethyl]cyclopentyl]acetic acid
CID 60662784
N-[4-(cyanomethyl)phenyl]-2-(4-phenylphenyl)acetamide
CID 26374350
N-[4-(cyanomethyl)phenyl]-3,3,3-trifluoropropanamide
CID 60731315
N-[4-(cyanomethyl)phenyl]-2-(4-sulfanylphenyl)acetamide
CID 107028125

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[4-(cyanomethyl)anilino]-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-[4-(cyanomethyl)anilino]-2-oxoethyl]cyclopentyl]acetic acid (CID 2811971) is 2-[1-[2-[4-(cyanomethyl)anilino]-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[4-(cyanomethyl)anilino]-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-[4-(cyanomethyl)anilino]-2-oxoethyl]cyclopentyl]acetic acid is N#CCc1ccc(NC(=O)CC2(CC(=O)O)CCCC2)cc1.
What is the InChIKey of 2-[1-[2-[4-(cyanomethyl)anilino]-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is QDOZGADLUXKUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c18-10-7-13-3-5-14(6-4-13)19-15(20)11-17(12-16(21)22)8-1-2-9-17/h3-6H,1-2,7-9,11-12H2,(H,19,20)(H,21,22).
What are the key properties of 2-[1-[2-[4-(cyanomethyl)anilino]-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-[4-(cyanomethyl)anilino]-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 300.36 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[4-(cyanomethyl)anilino]-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 2811971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).