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

C11H19NO4S — CID 106320687

IUPACcis-(1R,3S)-3-[[2-(2-methoxyethylsulfanyl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESCOCCSCC(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C11H19NO4S/c1-16-4-5-17-7-10(13)12-9-3-2-8(6-9)11(14)15/h8-9H,2-7H2,1H3,(H,12,13)(H,14,15)/t8-,9+/m1/s1
InChIKeyCIZDKAVBWSSOLV-BDAKNGLRSA-N
MW261.34 g/mol
LogP0.74
Rot. Bonds7

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

cis-(1R,3S)-3-[[2-(2-methoxyethylsulfanyl)acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 106320687) has the molecular formula C11H19NO4S and a molecular weight of 261.34 g/mol. Its IUPAC name is cis-(1R,3S)-3-[[2-(2-methoxyethylsulfanyl)acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[[2-(2-methoxyethylsulfanyl)acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID106320687
Molecular FormulaC11H19NO4S
Molecular Weight261.34 g/mol
Exact Mass261.10
IUPAC Namecis-(1R,3S)-3-[[2-(2-methoxyethylsulfanyl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESCOCCSCC(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C11H19NO4S/c1-16-4-5-17-7-10(13)12-9-3-2-8(6-9)11(14)15/h8-9H,2-7H2,1H3,(H,12,13)(H,14,15)/t8-,9+/m1/s1
InChIKeyCIZDKAVBWSSOLV-BDAKNGLRSA-N
XLogP0.74
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze cis-(1R,3S)-3-[[2-(2-methoxyethylsulfanyl)acetyl]amino]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-[[2-(2,2,2-trifluoroethylsulfanyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675651
4-[[2-(2-methoxyethylsulfanyl)acetyl]amino]oxolane-3-carboxylic acid
CID 66222270
cis-(1S,3R)-3-(3-ethoxypropanoylamino)cyclopentane-1-carboxylic acid
CID 120675923
cis-(1R,3S)-3-[[2-methoxyethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319406
cis-(1R,3S)-3-[2-(2-methoxyethoxy)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 106319589
3-[[2-(cyclopropylamino)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66031562
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
3-[(2-phenylsulfanylacetyl)amino]cyclopentane-1-carboxylic acid
CID 66031331
cis-(1S,3R)-3-[(2-pentoxyacetyl)amino]cyclopentane-1-carboxylic acid
CID 97338871
cis-(1R,3S)-3-[(2-cyclopropylacetyl)amino]cyclopentane-1-carboxylic acid
CID 106320836
3-(4-methylpentanoylamino)cyclopentane-1-carboxylic acid
CID 66030515

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[[2-(2-methoxyethylsulfanyl)acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[[2-(2-methoxyethylsulfanyl)acetyl]amino]cyclopentane-1-carboxylic acid (CID 106320687) is cis-(1R,3S)-3-[[2-(2-methoxyethylsulfanyl)acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[[2-(2-methoxyethylsulfanyl)acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[[2-(2-methoxyethylsulfanyl)acetyl]amino]cyclopentane-1-carboxylic acid is COCCSCC(=O)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-[[2-(2-methoxyethylsulfanyl)acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is CIZDKAVBWSSOLV-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H19NO4S/c1-16-4-5-17-7-10(13)12-9-3-2-8(6-9)11(14)15/h8-9H,2-7H2,1H3,(H,12,13)(H,14,15)/t8-,9+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[[2-(2-methoxyethylsulfanyl)acetyl]amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[[2-(2-methoxyethylsulfanyl)acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 261.34 g/mol, XLogP of 0.74, 7 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-(2-methoxyethylsulfanyl)acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106320687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).