cis-(1S,3R)-3-(3-ethoxypropanoylamino)cyclopentane-1-carboxylic acid

C11H19NO4 — CID 120675923

IUPACcis-(1S,3R)-3-(3-ethoxypropanoylamino)cyclopentane-1-carboxylic acid
SMILESCCOCCC(=O)N[C@@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C11H19NO4/c1-2-16-6-5-10(13)12-9-4-3-8(7-9)11(14)15/h8-9H,2-7H2,1H3,(H,12,13)(H,14,15)/t8-,9+/m0/s1
InChIKeyIBQIBDQAILSQFD-DTWKUNHWSA-N
MW229.28 g/mol
LogP0.78
Rot. Bonds6

About cis-(1S,3R)-3-(3-ethoxypropanoylamino)cyclopentane-1-carboxylic acid

cis-(1S,3R)-3-(3-ethoxypropanoylamino)cyclopentane-1-carboxylic acid (PubChem CID 120675923) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is cis-(1S,3R)-3-(3-ethoxypropanoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-(3-ethoxypropanoylamino)cyclopentane-1-carboxylic acid
PubChem CID120675923
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Namecis-(1S,3R)-3-(3-ethoxypropanoylamino)cyclopentane-1-carboxylic acid
SMILESCCOCCC(=O)N[C@@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C11H19NO4/c1-2-16-6-5-10(13)12-9-4-3-8(7-9)11(14)15/h8-9H,2-7H2,1H3,(H,12,13)(H,14,15)/t8-,9+/m0/s1
InChIKeyIBQIBDQAILSQFD-DTWKUNHWSA-N
XLogP0.78
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.78
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-(3-propoxypropanoylamino)cyclopentane-1-carboxylic acid
CID 106321388
cis-(1R,3S)-3-[(4-ethoxy-4-oxobutanoyl)amino]cyclopentane-1-carboxylic acid
CID 106320773
cis-(1R,3S)-3-(3-propan-2-yloxypropanoylamino)cyclopentane-1-carboxylic acid
CID 120678543
cis-(1R,3S)-3-(2-ethoxyethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106319333
3-(hexanoylamino)cyclopentane-1-carboxylic acid
CID 66030150
cis-(1R,3S)-3-(hexanoylamino)cyclopentane-1-carboxylic acid
CID 106320393
cis-(1S,3R)-3-[2-(2-ethoxyethoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 120675280
N-(4-aminocyclohexyl)-3-ethoxypropanamide;hydrochloride
CID 119475217
cis-(1S,3R)-3-[(2-pentoxyacetyl)amino]cyclopentane-1-carboxylic acid
CID 97338871
3-(4-methylpentanoylamino)cyclopentane-1-carboxylic acid
CID 66030515
cis-(1S,3R)-3-(4-propan-2-yloxybutanoylamino)cyclopentane-1-carboxylic acid
CID 120690511
3-(3-piperidin-4-yloxypropanoylamino)cyclopentane-1-carboxylic acid
CID 66030555

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-(3-ethoxypropanoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-(3-ethoxypropanoylamino)cyclopentane-1-carboxylic acid (CID 120675923) is cis-(1S,3R)-3-(3-ethoxypropanoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-(3-ethoxypropanoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-(3-ethoxypropanoylamino)cyclopentane-1-carboxylic acid is CCOCCC(=O)N[C@@H]1CC[C@H](C(=O)O)C1.
What is the InChIKey of cis-(1S,3R)-3-(3-ethoxypropanoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is IBQIBDQAILSQFD-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H19NO4/c1-2-16-6-5-10(13)12-9-4-3-8(7-9)11(14)15/h8-9H,2-7H2,1H3,(H,12,13)(H,14,15)/t8-,9+/m0/s1.
What are the key properties of cis-(1S,3R)-3-(3-ethoxypropanoylamino)cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-(3-ethoxypropanoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 229.28 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-(3-ethoxypropanoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120675923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).