2-(cyclopentylamino)-2-(2,5-dichlorophenyl)propanoic acid

C14H17Cl2NO2 — CID 61002117

IUPAC2-(cyclopentylamino)-2-(2,5-dichlorophenyl)propanoic acid
SMILESCC(NC1CCCC1)(C(=O)O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H17Cl2NO2/c1-14(13(18)19,17-10-4-2-3-5-10)11-8-9(15)6-7-12(11)16/h6-8,10,17H,2-5H2,1H3,(H,18,19)
InChIKeyHXMVROXQFBGPQB-UHFFFAOYSA-N
MW302.20 g/mol
LogP3.83
Rot. Bonds4

About 2-(cyclopentylamino)-2-(2,5-dichlorophenyl)propanoic acid

2-(cyclopentylamino)-2-(2,5-dichlorophenyl)propanoic acid (PubChem CID 61002117) has the molecular formula C14H17Cl2NO2 and a molecular weight of 302.20 g/mol. Its IUPAC name is 2-(cyclopentylamino)-2-(2,5-dichlorophenyl)propanoic acid.

Molecular Properties

Compound Name2-(cyclopentylamino)-2-(2,5-dichlorophenyl)propanoic acid
PubChem CID61002117
Molecular FormulaC14H17Cl2NO2
Molecular Weight302.20 g/mol
Exact Mass301.06
IUPAC Name2-(cyclopentylamino)-2-(2,5-dichlorophenyl)propanoic acid
SMILESCC(NC1CCCC1)(C(=O)O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H17Cl2NO2/c1-14(13(18)19,17-10-4-2-3-5-10)11-8-9(15)6-7-12(11)16/h6-8,10,17H,2-5H2,1H3,(H,18,19)
InChIKeyHXMVROXQFBGPQB-UHFFFAOYSA-N
XLogP3.83
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-chlorophenyl)-2-(cyclopentylamino)propanoic acid
CID 82773455
2-(2,5-dichlorophenyl)-2-(ethylamino)propanoic acid
CID 43753845
2-(4-chlorophenyl)-2-(cyclopropylamino)propanoic acid
CID 43754458
2-(cyclobutylamino)-2-(2-fluorophenyl)propanoic acid
CID 115001938
2-(cyclopentylamino)-2-[2-(trifluoromethyl)phenyl]propanoic acid
CID 61002717
2-(cyclohexylamino)-2-(3,5-dihydroxyphenyl)propanoic acid
CID 107707552
1-cyclohexyl-1-(2,5-dichlorophenyl)ethanol
CID 114794938
2-(cyclohexylamino)-2-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 60998426
N-cyclopentyl-N'-(2,5-dichlorophenyl)-2,2-dimethylpropanediamide
CID 108958708
2-(cycloheptylamino)-2-(4-methylsulfanylphenyl)propanoic acid
CID 60997964
2-(cyclopropylmethylamino)-2-(3,4-dichlorophenyl)propanoic acid
CID 61001713
2-(2,5-dichlorophenyl)-2-(ethylamino)propanamide
CID 60787377

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-2-(2,5-dichlorophenyl)propanoic acid?
The IUPAC name of 2-(cyclopentylamino)-2-(2,5-dichlorophenyl)propanoic acid (CID 61002117) is 2-(cyclopentylamino)-2-(2,5-dichlorophenyl)propanoic acid.
What is the SMILES notation for 2-(cyclopentylamino)-2-(2,5-dichlorophenyl)propanoic acid?
The canonical SMILES for 2-(cyclopentylamino)-2-(2,5-dichlorophenyl)propanoic acid is CC(NC1CCCC1)(C(=O)O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(cyclopentylamino)-2-(2,5-dichlorophenyl)propanoic acid?
The InChIKey is HXMVROXQFBGPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO2/c1-14(13(18)19,17-10-4-2-3-5-10)11-8-9(15)6-7-12(11)16/h6-8,10,17H,2-5H2,1H3,(H,18,19).
What are the key properties of 2-(cyclopentylamino)-2-(2,5-dichlorophenyl)propanoic acid?
2-(cyclopentylamino)-2-(2,5-dichlorophenyl)propanoic acid has a molecular weight of 302.20 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-2-(2,5-dichlorophenyl)propanoic acid is sourced from PubChem (CID 61002117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).