2-[[[2-(2-chlorophenyl)cyclopentyl]amino]methyl]-2-ethylbutanoic acid

C18H26ClNO2 — CID 122128586

IUPAC2-[[[2-(2-chlorophenyl)cyclopentyl]amino]methyl]-2-ethylbutanoic acid
SMILESCCC(CC)(CNC1CCCC1c1ccccc1Cl)C(=O)O
InChIInChI=1S/C18H26ClNO2/c1-3-18(4-2,17(21)22)12-20-16-11-7-9-14(16)13-8-5-6-10-15(13)19/h5-6,8,10,14,16,20H,3-4,7,9,11-12H2,1-2H3,(H,21,22)
InChIKeyNRVZGQKOGVJSMT-UHFFFAOYSA-N
MW323.86 g/mol
LogP4.46
Rot. Bonds7

About 2-[[[2-(2-chlorophenyl)cyclopentyl]amino]methyl]-2-ethylbutanoic acid

2-[[[2-(2-chlorophenyl)cyclopentyl]amino]methyl]-2-ethylbutanoic acid (PubChem CID 122128586) has the molecular formula C18H26ClNO2 and a molecular weight of 323.86 g/mol. Its IUPAC name is 2-[[[2-(2-chlorophenyl)cyclopentyl]amino]methyl]-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-[[[2-(2-chlorophenyl)cyclopentyl]amino]methyl]-2-ethylbutanoic acid
PubChem CID122128586
Molecular FormulaC18H26ClNO2
Molecular Weight323.86 g/mol
Exact Mass323.17
IUPAC Name2-[[[2-(2-chlorophenyl)cyclopentyl]amino]methyl]-2-ethylbutanoic acid
SMILESCCC(CC)(CNC1CCCC1c1ccccc1Cl)C(=O)O
InChIInChI=1S/C18H26ClNO2/c1-3-18(4-2,17(21)22)12-20-16-11-7-9-14(16)13-8-5-6-10-15(13)19/h5-6,8,10,14,16,20H,3-4,7,9,11-12H2,1-2H3,(H,21,22)
InChIKeyNRVZGQKOGVJSMT-UHFFFAOYSA-N
XLogP4.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.86
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(2-chlorophenyl)cyclopentyl]amino]methyl]-2-ethylbutanoic acid?
The IUPAC name of 2-[[[2-(2-chlorophenyl)cyclopentyl]amino]methyl]-2-ethylbutanoic acid (CID 122128586) is 2-[[[2-(2-chlorophenyl)cyclopentyl]amino]methyl]-2-ethylbutanoic acid.
What is the SMILES notation for 2-[[[2-(2-chlorophenyl)cyclopentyl]amino]methyl]-2-ethylbutanoic acid?
The canonical SMILES for 2-[[[2-(2-chlorophenyl)cyclopentyl]amino]methyl]-2-ethylbutanoic acid is CCC(CC)(CNC1CCCC1c1ccccc1Cl)C(=O)O.
What is the InChIKey of 2-[[[2-(2-chlorophenyl)cyclopentyl]amino]methyl]-2-ethylbutanoic acid?
The InChIKey is NRVZGQKOGVJSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClNO2/c1-3-18(4-2,17(21)22)12-20-16-11-7-9-14(16)13-8-5-6-10-15(13)19/h5-6,8,10,14,16,20H,3-4,7,9,11-12H2,1-2H3,(H,21,22).
What are the key properties of 2-[[[2-(2-chlorophenyl)cyclopentyl]amino]methyl]-2-ethylbutanoic acid?
2-[[[2-(2-chlorophenyl)cyclopentyl]amino]methyl]-2-ethylbutanoic acid has a molecular weight of 323.86 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(2-chlorophenyl)cyclopentyl]amino]methyl]-2-ethylbutanoic acid is sourced from PubChem (CID 122128586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).