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

C16H21NO4 — CID 120676768

IUPACcis-(1S,3R)-3-[[2-(2-phenylethoxy)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(COCCc1ccccc1)N[C@@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C16H21NO4/c18-15(17-14-7-6-13(10-14)16(19)20)11-21-9-8-12-4-2-1-3-5-12/h1-5,13-14H,6-11H2,(H,17,18)(H,19,20)/t13-,14+/m0/s1
InChIKeyRIPOUAMGHAWGKA-UONOGXRCSA-N
MW291.35 g/mol
LogP1.62
Rot. Bonds7

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

cis-(1S,3R)-3-[[2-(2-phenylethoxy)acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 120676768) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is cis-(1S,3R)-3-[[2-(2-phenylethoxy)acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[[2-(2-phenylethoxy)acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID120676768
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Namecis-(1S,3R)-3-[[2-(2-phenylethoxy)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(COCCc1ccccc1)N[C@@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C16H21NO4/c18-15(17-14-7-6-13(10-14)16(19)20)11-21-9-8-12-4-2-1-3-5-12/h1-5,13-14H,6-11H2,(H,17,18)(H,19,20)/t13-,14+/m0/s1
InChIKeyRIPOUAMGHAWGKA-UONOGXRCSA-N
XLogP1.62
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[[2-(2-phenylethoxy)acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[[2-(2-phenylethoxy)acetyl]amino]cyclopentane-1-carboxylic acid (CID 120676768) is cis-(1S,3R)-3-[[2-(2-phenylethoxy)acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[[2-(2-phenylethoxy)acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[[2-(2-phenylethoxy)acetyl]amino]cyclopentane-1-carboxylic acid is O=C(COCCc1ccccc1)N[C@@H]1CC[C@H](C(=O)O)C1.
What is the InChIKey of cis-(1S,3R)-3-[[2-(2-phenylethoxy)acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is RIPOUAMGHAWGKA-UONOGXRCSA-N. The full InChI is InChI=1S/C16H21NO4/c18-15(17-14-7-6-13(10-14)16(19)20)11-21-9-8-12-4-2-1-3-5-12/h1-5,13-14H,6-11H2,(H,17,18)(H,19,20)/t13-,14+/m0/s1.
What are the key properties of cis-(1S,3R)-3-[[2-(2-phenylethoxy)acetyl]amino]cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-[[2-(2-phenylethoxy)acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 1.62, 7 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-phenylethoxy)acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120676768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).