cis-(1S,3R)-3-[[2-(2,4-difluorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid

C14H15F2NO4 — CID 120675579

IUPACcis-(1S,3R)-3-[[2-(2,4-difluorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(COc1ccc(F)cc1F)N[C@@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C14H15F2NO4/c15-9-2-4-12(11(16)6-9)21-7-13(18)17-10-3-1-8(5-10)14(19)20/h2,4,6,8,10H,1,3,5,7H2,(H,17,18)(H,19,20)/t8-,10+/m0/s1
InChIKeyNAUFDSKRYPSKAF-WCBMZHEXSA-N
MW299.27 g/mol
LogP1.71
Rot. Bonds5

About cis-(1S,3R)-3-[[2-(2,4-difluorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid

cis-(1S,3R)-3-[[2-(2,4-difluorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 120675579) has the molecular formula C14H15F2NO4 and a molecular weight of 299.27 g/mol. Its IUPAC name is cis-(1S,3R)-3-[[2-(2,4-difluorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[[2-(2,4-difluorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID120675579
Molecular FormulaC14H15F2NO4
Molecular Weight299.27 g/mol
Exact Mass299.10
IUPAC Namecis-(1S,3R)-3-[[2-(2,4-difluorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(COc1ccc(F)cc1F)N[C@@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C14H15F2NO4/c15-9-2-4-12(11(16)6-9)21-7-13(18)17-10-3-1-8(5-10)14(19)20/h2,4,6,8,10H,1,3,5,7H2,(H,17,18)(H,19,20)/t8-,10+/m0/s1
InChIKeyNAUFDSKRYPSKAF-WCBMZHEXSA-N
XLogP1.71
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66030131
cis-(1S,3R)-3-[4-(2,4-difluorophenoxy)butanoylamino]cyclopentane-1-carboxylic acid
CID 120675535
3-[[2-(2,4-dichlorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66030116
cis-(1S,3R)-3-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675929
2-(2-chloro-4-fluorophenoxy)-N-(3-methylcyclopentyl)acetamide
CID 114550159
cis-(1S,3R)-3-[[2-(2-phenylmethoxyphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675144
cis-(1R,3S)-3-[(2-naphthalen-1-yloxyacetyl)amino]cyclopentane-1-carboxylic acid
CID 120677762
cis-(1S,3R)-3-[(2-naphthalen-1-yloxyacetyl)amino]cyclopentane-1-carboxylic acid
CID 120675430
3-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66032110
N-[2-(aminomethyl)cyclohexyl]-2-(2,4-difluorophenoxy)acetamide
CID 119610188
cis-(1R,3S)-3-[[2-(4-methoxy-3-methylphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120677969
2-(2-acetyl-4-fluorophenoxy)-N-(4-methylcyclohexyl)acetamide
CID 4794961

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[[2-(2,4-difluorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[[2-(2,4-difluorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid (CID 120675579) is cis-(1S,3R)-3-[[2-(2,4-difluorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[[2-(2,4-difluorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[[2-(2,4-difluorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid is O=C(COc1ccc(F)cc1F)N[C@@H]1CC[C@H](C(=O)O)C1.
What is the InChIKey of cis-(1S,3R)-3-[[2-(2,4-difluorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is NAUFDSKRYPSKAF-WCBMZHEXSA-N. The full InChI is InChI=1S/C14H15F2NO4/c15-9-2-4-12(11(16)6-9)21-7-13(18)17-10-3-1-8(5-10)14(19)20/h2,4,6,8,10H,1,3,5,7H2,(H,17,18)(H,19,20)/t8-,10+/m0/s1.
What are the key properties of cis-(1S,3R)-3-[[2-(2,4-difluorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-[[2-(2,4-difluorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 299.27 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[[2-(2,4-difluorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120675579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).