cis-(1S,3R)-3-[(2-ethoxy-3-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid

C15H18FNO4 — CID 120676191

IUPACcis-(1S,3R)-3-[(2-ethoxy-3-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESCCOc1c(F)cccc1C(=O)N[C@@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C15H18FNO4/c1-2-21-13-11(4-3-5-12(13)16)14(18)17-10-7-6-9(8-10)15(19)20/h3-5,9-10H,2,6-8H2,1H3,(H,17,18)(H,19,20)/t9-,10+/m0/s1
InChIKeyAEFLRZDOIMFYOD-VHSXEESVSA-N
MW295.31 g/mol
LogP2.21
Rot. Bonds5

About cis-(1S,3R)-3-[(2-ethoxy-3-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid

cis-(1S,3R)-3-[(2-ethoxy-3-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 120676191) has the molecular formula C15H18FNO4 and a molecular weight of 295.31 g/mol. Its IUPAC name is cis-(1S,3R)-3-[(2-ethoxy-3-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[(2-ethoxy-3-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid
PubChem CID120676191
Molecular FormulaC15H18FNO4
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Namecis-(1S,3R)-3-[(2-ethoxy-3-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESCCOc1c(F)cccc1C(=O)N[C@@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C15H18FNO4/c1-2-21-13-11(4-3-5-12(13)16)14(18)17-10-7-6-9(8-10)15(19)20/h3-5,9-10H,2,6-8H2,1H3,(H,17,18)(H,19,20)/t9-,10+/m0/s1
InChIKeyAEFLRZDOIMFYOD-VHSXEESVSA-N
XLogP2.21
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,3R)-3-[(2-ethoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120677160
3-[(2-hydroxy-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032729
3-[(3-chloro-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 81267596
cis-(1S,3R)-3-[(2-fluoro-6-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120675723
3-[(2-chloro-3-fluorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 81454437
3-[(2-fluoro-6-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 107013675
cis-(1S,3R)-3-[4-[(2-ethoxybenzoyl)amino]butanoylamino]cyclopentane-1-carboxylic acid
CID 120675480
4-[(2-ethoxy-3-fluorobenzoyl)amino]butanoic acid
CID 119170570
trans-(1R,3R)-3-[(2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 97318284
cis-(1S,3R)-3-[(3,4-diethoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120674848
cis-(1S,3R)-3-[[2-(methoxymethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120676087
2-ethoxy-N-[2-(ethylamino)ethyl]-3-fluorobenzamide;hydrochloride
CID 119505079

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[(2-ethoxy-3-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[(2-ethoxy-3-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid (CID 120676191) is cis-(1S,3R)-3-[(2-ethoxy-3-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[(2-ethoxy-3-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[(2-ethoxy-3-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid is CCOc1c(F)cccc1C(=O)N[C@@H]1CC[C@H](C(=O)O)C1.
What is the InChIKey of cis-(1S,3R)-3-[(2-ethoxy-3-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is AEFLRZDOIMFYOD-VHSXEESVSA-N. The full InChI is InChI=1S/C15H18FNO4/c1-2-21-13-11(4-3-5-12(13)16)14(18)17-10-7-6-9(8-10)15(19)20/h3-5,9-10H,2,6-8H2,1H3,(H,17,18)(H,19,20)/t9-,10+/m0/s1.
What are the key properties of cis-(1S,3R)-3-[(2-ethoxy-3-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-[(2-ethoxy-3-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 295.31 g/mol, XLogP of 2.21, 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-ethoxy-3-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120676191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).