cis-(1R,4R)-3-oxo-4-[3-(propanoylamino)phenyl]cyclopentane-1-carboxylic acid

C15H17NO4 — CID 95731321

IUPACcis-(1R,4R)-3-oxo-4-[3-(propanoylamino)phenyl]cyclopentane-1-carboxylic acid
SMILESCCC(=O)Nc1cccc([C@H]2C[C@@H](C(=O)O)CC2=O)c1
InChIInChI=1S/C15H17NO4/c1-2-14(18)16-11-5-3-4-9(6-11)12-7-10(15(19)20)8-13(12)17/h3-6,10,12H,2,7-8H2,1H3,(H,16,18)(H,19,20)/t10-,12-/m1/s1
InChIKeyZTZFSUWOLAYZPS-ZYHUDNBSSA-N
MW275.30 g/mol
LogP2.18
Rot. Bonds4

About cis-(1R,4R)-3-oxo-4-[3-(propanoylamino)phenyl]cyclopentane-1-carboxylic acid

cis-(1R,4R)-3-oxo-4-[3-(propanoylamino)phenyl]cyclopentane-1-carboxylic acid (PubChem CID 95731321) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is cis-(1R,4R)-3-oxo-4-[3-(propanoylamino)phenyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,4R)-3-oxo-4-[3-(propanoylamino)phenyl]cyclopentane-1-carboxylic acid
PubChem CID95731321
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Namecis-(1R,4R)-3-oxo-4-[3-(propanoylamino)phenyl]cyclopentane-1-carboxylic acid
SMILESCCC(=O)Nc1cccc([C@H]2C[C@@H](C(=O)O)CC2=O)c1
InChIInChI=1S/C15H17NO4/c1-2-14(18)16-11-5-3-4-9(6-11)12-7-10(15(19)20)8-13(12)17/h3-6,10,12H,2,7-8H2,1H3,(H,16,18)(H,19,20)/t10-,12-/m1/s1
InChIKeyZTZFSUWOLAYZPS-ZYHUDNBSSA-N
XLogP2.18
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,4R)-3-oxo-4-[3-(propanoylamino)phenyl]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,4R)-3-oxo-4-[3-(propanoylamino)phenyl]cyclopentane-1-carboxylic acid (CID 95731321) is cis-(1R,4R)-3-oxo-4-[3-(propanoylamino)phenyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,4R)-3-oxo-4-[3-(propanoylamino)phenyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,4R)-3-oxo-4-[3-(propanoylamino)phenyl]cyclopentane-1-carboxylic acid is CCC(=O)Nc1cccc([C@H]2C[C@@H](C(=O)O)CC2=O)c1.
What is the InChIKey of cis-(1R,4R)-3-oxo-4-[3-(propanoylamino)phenyl]cyclopentane-1-carboxylic acid?
The InChIKey is ZTZFSUWOLAYZPS-ZYHUDNBSSA-N. The full InChI is InChI=1S/C15H17NO4/c1-2-14(18)16-11-5-3-4-9(6-11)12-7-10(15(19)20)8-13(12)17/h3-6,10,12H,2,7-8H2,1H3,(H,16,18)(H,19,20)/t10-,12-/m1/s1.
What are the key properties of cis-(1R,4R)-3-oxo-4-[3-(propanoylamino)phenyl]cyclopentane-1-carboxylic acid?
cis-(1R,4R)-3-oxo-4-[3-(propanoylamino)phenyl]cyclopentane-1-carboxylic acid has a molecular weight of 275.30 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,4R)-3-oxo-4-[3-(propanoylamino)phenyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 95731321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).