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

C13H23NO4 — CID 97338871

IUPACcis-(1S,3R)-3-[(2-pentoxyacetyl)amino]cyclopentane-1-carboxylic acid
SMILESCCCCCOCC(=O)N[C@@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C13H23NO4/c1-2-3-4-7-18-9-12(15)14-11-6-5-10(8-11)13(16)17/h10-11H,2-9H2,1H3,(H,14,15)(H,16,17)/t10-,11+/m0/s1
InChIKeyAPIZOCNVRYJEDA-WDEREUQCSA-N
MW257.33 g/mol
LogP1.56
Rot. Bonds8

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

cis-(1S,3R)-3-[(2-pentoxyacetyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 97338871) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is cis-(1S,3R)-3-[(2-pentoxyacetyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[(2-pentoxyacetyl)amino]cyclopentane-1-carboxylic acid
PubChem CID97338871
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Namecis-(1S,3R)-3-[(2-pentoxyacetyl)amino]cyclopentane-1-carboxylic acid
SMILESCCCCCOCC(=O)N[C@@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C13H23NO4/c1-2-3-4-7-18-9-12(15)14-11-6-5-10(8-11)13(16)17/h10-11H,2-9H2,1H3,(H,14,15)(H,16,17)/t10-,11+/m0/s1
InChIKeyAPIZOCNVRYJEDA-WDEREUQCSA-N
XLogP1.56
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.56
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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Related Compounds

cis-(1R,3S)-3-(hexanoylamino)cyclopentane-1-carboxylic acid
CID 106320393
3-(hexanoylamino)cyclopentane-1-carboxylic acid
CID 66030150
N-(4-aminocyclohexyl)-2-pentoxyacetamide
CID 119474713
cis-(1R,3S)-3-(3-propoxypropanoylamino)cyclopentane-1-carboxylic acid
CID 106321388
2-pentoxy-N-(thietan-3-yl)acetamide
CID 126832129
cis-(1S,3R)-3-(3-ethoxypropanoylamino)cyclopentane-1-carboxylic acid
CID 120675923
4-[[2-(2-hydroxyethoxy)acetyl]amino]cyclohexane-1-carboxylic acid
CID 91018555
cis-(1S,3R)-3-[[2-(2-phenylethoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120676768
3-(2-butoxyethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66032046
cis-(1R,3S)-3-(2-butoxyethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106319606
2-(2-ethoxyethoxy)-N-(4-methylcyclohexyl)acetamide
CID 86838704
cis-(1S,3R)-3-[(2-phenylmethoxyacetyl)amino]cyclopentane-1-carboxylic acid
CID 120675538

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[(2-pentoxyacetyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[(2-pentoxyacetyl)amino]cyclopentane-1-carboxylic acid (CID 97338871) is cis-(1S,3R)-3-[(2-pentoxyacetyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[(2-pentoxyacetyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[(2-pentoxyacetyl)amino]cyclopentane-1-carboxylic acid is CCCCCOCC(=O)N[C@@H]1CC[C@H](C(=O)O)C1.
What is the InChIKey of cis-(1S,3R)-3-[(2-pentoxyacetyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is APIZOCNVRYJEDA-WDEREUQCSA-N. The full InChI is InChI=1S/C13H23NO4/c1-2-3-4-7-18-9-12(15)14-11-6-5-10(8-11)13(16)17/h10-11H,2-9H2,1H3,(H,14,15)(H,16,17)/t10-,11+/m0/s1.
What are the key properties of cis-(1S,3R)-3-[(2-pentoxyacetyl)amino]cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-[(2-pentoxyacetyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 257.33 g/mol, XLogP of 1.56, 8 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-pentoxyacetyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 97338871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).