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Cis-(1R,3S)-3-[[2-(3-methoxyphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid

C15H19NO5 — CID 120678646

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACcis-(1R,3S)-3-[[2-(3-methoxyphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESCOc1cccc(OCC(=O)N[C@H]2CC[C@@H](C(=O)O)C2)c1
InChIInChI=1S/C15H19NO5/c1-20-12-3-2-4-13(8-12)21-9-14(17)16-11-6-5-10(7-11)15(18)19/h2-4,8,10-11H,5-7,9H2,1H3,(H,16,17)(H,18,19)/t10-,11+/m1/s1
InChIKeyXFSFQECUSRTZKW-MNOVXSKESA-N
MW293.32 g/mol
LogP1.44
Rot. Bonds6

About Cis-(1R,3S)-3-[[2-(3-methoxyphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid

Cis-(1R,3S)-3-[[2-(3-methoxyphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 120678646) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is cis-(1R,3S)-3-[[2-(3-methoxyphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound NameCis-(1R,3S)-3-[[2-(3-methoxyphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID120678646
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Namecis-(1R,3S)-3-[[2-(3-methoxyphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESCOc1cccc(OCC(=O)N[C@H]2CC[C@@H](C(=O)O)C2)c1
InChIInChI=1S/C15H19NO5/c1-20-12-3-2-4-13(8-12)21-9-14(17)16-11-6-5-10(7-11)15(18)19/h2-4,8,10-11H,5-7,9H2,1H3,(H,16,17)(H,18,19)/t10-,11+/m1/s1
InChIKeyXFSFQECUSRTZKW-MNOVXSKESA-N
XLogP1.44
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of Cis-(1R,3S)-3-[[2-(3-methoxyphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of Cis-(1R,3S)-3-[[2-(3-methoxyphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid (CID 120678646) is cis-(1R,3S)-3-[[2-(3-methoxyphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for Cis-(1R,3S)-3-[[2-(3-methoxyphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for Cis-(1R,3S)-3-[[2-(3-methoxyphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid is COc1cccc(OCC(=O)N[C@H]2CC[C@@H](C(=O)O)C2)c1.
What is the InChIKey of Cis-(1R,3S)-3-[[2-(3-methoxyphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is XFSFQECUSRTZKW-MNOVXSKESA-N. The full InChI is InChI=1S/C15H19NO5/c1-20-12-3-2-4-13(8-12)21-9-14(17)16-11-6-5-10(7-11)15(18)19/h2-4,8,10-11H,5-7,9H2,1H3,(H,16,17)(H,18,19)/t10-,11+/m1/s1.
What are the key properties of Cis-(1R,3S)-3-[[2-(3-methoxyphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid?
Cis-(1R,3S)-3-[[2-(3-methoxyphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Cis-(1R,3S)-3-[[2-(3-methoxyphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120678646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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