2-[[1-(2-ethoxyethyl)cyclopentyl]methylcarbamoyl]cyclobutane-1-carboxylic acid

C16H27NO4 — CID 120977017

IUPAC2-[[1-(2-ethoxyethyl)cyclopentyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESCCOCCC1(CNC(=O)C2CCC2C(=O)O)CCCC1
InChIInChI=1S/C16H27NO4/c1-2-21-10-9-16(7-3-4-8-16)11-17-14(18)12-5-6-13(12)15(19)20/h12-13H,2-11H2,1H3,(H,17,18)(H,19,20)
InChIKeyHMADFYCZMWQXSL-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.20
Rot. Bonds8

About 2-[[1-(2-ethoxyethyl)cyclopentyl]methylcarbamoyl]cyclobutane-1-carboxylic acid

2-[[1-(2-ethoxyethyl)cyclopentyl]methylcarbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 120977017) has the molecular formula C16H27NO4 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[[1-(2-ethoxyethyl)cyclopentyl]methylcarbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[1-(2-ethoxyethyl)cyclopentyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
PubChem CID120977017
Molecular FormulaC16H27NO4
Molecular Weight297.40 g/mol
Exact Mass297.19
IUPAC Name2-[[1-(2-ethoxyethyl)cyclopentyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESCCOCCC1(CNC(=O)C2CCC2C(=O)O)CCCC1
InChIInChI=1S/C16H27NO4/c1-2-21-10-9-16(7-3-4-8-16)11-17-14(18)12-5-6-13(12)15(19)20/h12-13H,2-11H2,1H3,(H,17,18)(H,19,20)
InChIKeyHMADFYCZMWQXSL-UHFFFAOYSA-N
XLogP2.20
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.20
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

(2S,4S)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-methylpiperidine-4-carboxamide
CID 120638797
(2S)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]oxolane-2-carboxamide
CID 97100966
9-amino-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120992642
N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]piperidine-3-carboxamide
CID 119339952
N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119820344
2-[(1-benzylcyclopentyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977496
2-[[1-(hydroxymethyl)cyclopropyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 115454200
2-(cyclopropylmethylamino)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]acetamide;hydrochloride
CID 119820320
2-[(1-benzylcyclobutyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977084
1-[[1-(2-ethoxyethyl)cyclopentyl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122006604
1-amino-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]cyclopropane-1-carboxamide
CID 119820293
(2S,5R)-5-(aminomethyl)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]oxolane-2-carboxamide;hydrochloride
CID 120796417

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-ethoxyethyl)cyclopentyl]methylcarbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[[1-(2-ethoxyethyl)cyclopentyl]methylcarbamoyl]cyclobutane-1-carboxylic acid (CID 120977017) is 2-[[1-(2-ethoxyethyl)cyclopentyl]methylcarbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[[1-(2-ethoxyethyl)cyclopentyl]methylcarbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[[1-(2-ethoxyethyl)cyclopentyl]methylcarbamoyl]cyclobutane-1-carboxylic acid is CCOCCC1(CNC(=O)C2CCC2C(=O)O)CCCC1.
What is the InChIKey of 2-[[1-(2-ethoxyethyl)cyclopentyl]methylcarbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is HMADFYCZMWQXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-2-21-10-9-16(7-3-4-8-16)11-17-14(18)12-5-6-13(12)15(19)20/h12-13H,2-11H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[[1-(2-ethoxyethyl)cyclopentyl]methylcarbamoyl]cyclobutane-1-carboxylic acid?
2-[[1-(2-ethoxyethyl)cyclopentyl]methylcarbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 297.40 g/mol, XLogP of 2.20, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-ethoxyethyl)cyclopentyl]methylcarbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120977017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).