cis-(1S,3R)-3-[2-(2-ethoxyethoxy)propanoylamino]cyclopentane-1-carboxylic acid

C13H23NO5 — CID 120675280

IUPACcis-(1S,3R)-3-[2-(2-ethoxyethoxy)propanoylamino]cyclopentane-1-carboxylic acid
SMILESCCOCCOC(C)C(=O)N[C@@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C13H23NO5/c1-3-18-6-7-19-9(2)12(15)14-11-5-4-10(8-11)13(16)17/h9-11H,3-8H2,1-2H3,(H,14,15)(H,16,17)/t9?,10-,11+/m0/s1
InChIKeyYAFCZASVGBSUGF-QXXIUIOUSA-N
MW273.33 g/mol
LogP0.80
Rot. Bonds8

About cis-(1S,3R)-3-[2-(2-ethoxyethoxy)propanoylamino]cyclopentane-1-carboxylic acid

cis-(1S,3R)-3-[2-(2-ethoxyethoxy)propanoylamino]cyclopentane-1-carboxylic acid (PubChem CID 120675280) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is cis-(1S,3R)-3-[2-(2-ethoxyethoxy)propanoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[2-(2-ethoxyethoxy)propanoylamino]cyclopentane-1-carboxylic acid
PubChem CID120675280
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Namecis-(1S,3R)-3-[2-(2-ethoxyethoxy)propanoylamino]cyclopentane-1-carboxylic acid
SMILESCCOCCOC(C)C(=O)N[C@@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C13H23NO5/c1-3-18-6-7-19-9(2)12(15)14-11-5-4-10(8-11)13(16)17/h9-11H,3-8H2,1-2H3,(H,14,15)(H,16,17)/t9?,10-,11+/m0/s1
InChIKeyYAFCZASVGBSUGF-QXXIUIOUSA-N
XLogP0.80
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze cis-(1S,3R)-3-[2-(2-ethoxyethoxy)propanoylamino]cyclopentane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-(1S,3R)-3-(3-ethoxypropanoylamino)cyclopentane-1-carboxylic acid
CID 120675923
cis-(1R,3S)-3-(2-ethoxyethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106319333
cis-(1R,3S)-3-(2-aminobutanoylamino)cyclopentane-1-carboxylic acid
CID 106322701
cis-(1R,3S)-3-(3-propan-2-yloxypropanoylamino)cyclopentane-1-carboxylic acid
CID 120678543
cis-(1R,3S)-3-(3-propoxypropanoylamino)cyclopentane-1-carboxylic acid
CID 106321388
(2S)-N-cyclopropyl-2-[[(2S)-2-(2-ethoxyethoxy)propanoyl]amino]-3-phenylpropanamide
CID 95159522
(2S)-2-(2-ethoxyethoxy)-N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]propanamide
CID 95295293
cis-(1R,3S)-3-[[(2R)-2-aminopentanoyl]amino]cyclopentane-1-carboxylic acid
CID 106322988
cis-(1R,3S)-3-[[3-(ethylamino)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid
CID 114173475
3-(2-aminopentanoylamino)cyclopentane-1-carboxylic acid
CID 66031566
3-(2-aminopropanoylamino)cyclopentane-1-carboxylic acid
CID 66033141
cis-(1S,3R)-3-[(2-pentoxyacetyl)amino]cyclopentane-1-carboxylic acid
CID 97338871

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[2-(2-ethoxyethoxy)propanoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[2-(2-ethoxyethoxy)propanoylamino]cyclopentane-1-carboxylic acid (CID 120675280) is cis-(1S,3R)-3-[2-(2-ethoxyethoxy)propanoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[2-(2-ethoxyethoxy)propanoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[2-(2-ethoxyethoxy)propanoylamino]cyclopentane-1-carboxylic acid is CCOCCOC(C)C(=O)N[C@@H]1CC[C@H](C(=O)O)C1.
What is the InChIKey of cis-(1S,3R)-3-[2-(2-ethoxyethoxy)propanoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is YAFCZASVGBSUGF-QXXIUIOUSA-N. The full InChI is InChI=1S/C13H23NO5/c1-3-18-6-7-19-9(2)12(15)14-11-5-4-10(8-11)13(16)17/h9-11H,3-8H2,1-2H3,(H,14,15)(H,16,17)/t9?,10-,11+/m0/s1.
What are the key properties of cis-(1S,3R)-3-[2-(2-ethoxyethoxy)propanoylamino]cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-[2-(2-ethoxyethoxy)propanoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 273.33 g/mol, XLogP of 0.80, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[2-(2-ethoxyethoxy)propanoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120675280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).