2-(cyclopentylamino)-2-[4-(difluoromethoxy)phenyl]propanoic acid

C15H19F2NO3 — CID 60997541

IUPAC2-(cyclopentylamino)-2-[4-(difluoromethoxy)phenyl]propanoic acid
SMILESCC(NC1CCCC1)(C(=O)O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H19F2NO3/c1-15(13(19)20,18-11-4-2-3-5-11)10-6-8-12(9-7-10)21-14(16)17/h6-9,11,14,18H,2-5H2,1H3,(H,19,20)
InChIKeyXKDFSJZNJXMQMW-UHFFFAOYSA-N
MW299.32 g/mol
LogP3.12
Rot. Bonds6

About 2-(cyclopentylamino)-2-[4-(difluoromethoxy)phenyl]propanoic acid

2-(cyclopentylamino)-2-[4-(difluoromethoxy)phenyl]propanoic acid (PubChem CID 60997541) has the molecular formula C15H19F2NO3 and a molecular weight of 299.32 g/mol. Its IUPAC name is 2-(cyclopentylamino)-2-[4-(difluoromethoxy)phenyl]propanoic acid.

Molecular Properties

Compound Name2-(cyclopentylamino)-2-[4-(difluoromethoxy)phenyl]propanoic acid
PubChem CID60997541
Molecular FormulaC15H19F2NO3
Molecular Weight299.32 g/mol
Exact Mass299.13
IUPAC Name2-(cyclopentylamino)-2-[4-(difluoromethoxy)phenyl]propanoic acid
SMILESCC(NC1CCCC1)(C(=O)O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H19F2NO3/c1-15(13(19)20,18-11-4-2-3-5-11)10-6-8-12(9-7-10)21-14(16)17/h6-9,11,14,18H,2-5H2,1H3,(H,19,20)
InChIKeyXKDFSJZNJXMQMW-UHFFFAOYSA-N
XLogP3.12
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylmethylamino)-2-[4-(difluoromethoxy)phenyl]propanoic acid
CID 61001845
2-[4-(difluoromethoxy)phenyl]-2-(ethylamino)propanoic acid
CID 43753895
2-(cyclopentylamino)-2-[4-(2-methylpropyl)phenyl]propanoic acid
CID 61002706
2-(cycloheptylamino)-2-(4-methylsulfanylphenyl)propanoic acid
CID 60997964
2-(cyclopropylamino)-2-(4-hydroxyphenyl)propanoic acid
CID 43754473
2-(cyclohexylamino)-2-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 60998426
2-(4-chlorophenyl)-2-(cyclopropylamino)propanoic acid
CID 43754458
2-(cyclopentylamino)-2-(4-ethoxyphenyl)propanamide
CID 60999099
2-(cyclohexylamino)-2-(3,5-dihydroxyphenyl)propanoic acid
CID 107707552
2-(cyclopentylamino)-2-[2-(trifluoromethyl)phenyl]propanoic acid
CID 61002717
methyl 2-[4-(difluoromethoxy)phenyl]-2-(propylamino)propanoate
CID 60795366
2-(cyclopropylamino)-2-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 43754500

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-2-[4-(difluoromethoxy)phenyl]propanoic acid?
The IUPAC name of 2-(cyclopentylamino)-2-[4-(difluoromethoxy)phenyl]propanoic acid (CID 60997541) is 2-(cyclopentylamino)-2-[4-(difluoromethoxy)phenyl]propanoic acid.
What is the SMILES notation for 2-(cyclopentylamino)-2-[4-(difluoromethoxy)phenyl]propanoic acid?
The canonical SMILES for 2-(cyclopentylamino)-2-[4-(difluoromethoxy)phenyl]propanoic acid is CC(NC1CCCC1)(C(=O)O)c1ccc(OC(F)F)cc1.
What is the InChIKey of 2-(cyclopentylamino)-2-[4-(difluoromethoxy)phenyl]propanoic acid?
The InChIKey is XKDFSJZNJXMQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO3/c1-15(13(19)20,18-11-4-2-3-5-11)10-6-8-12(9-7-10)21-14(16)17/h6-9,11,14,18H,2-5H2,1H3,(H,19,20).
What are the key properties of 2-(cyclopentylamino)-2-[4-(difluoromethoxy)phenyl]propanoic acid?
2-(cyclopentylamino)-2-[4-(difluoromethoxy)phenyl]propanoic acid has a molecular weight of 299.32 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-(cyclopentylamino)-2-[4-(difluoromethoxy)phenyl]propanoic acid is sourced from PubChem (CID 60997541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).