2-(2-methoxyethylcarbamoyl)cyclobutane-1-carboxylic acid

C9H15NO4 — CID 120974198

IUPAC2-(2-methoxyethylcarbamoyl)cyclobutane-1-carboxylic acid
SMILESCOCCNC(=O)C1CCC1C(=O)O
InChIInChI=1S/C9H15NO4/c1-14-5-4-10-8(11)6-2-3-7(6)9(12)13/h6-7H,2-5H2,1H3,(H,10,11)(H,12,13)
InChIKeyNXMDOGFUPDLHNV-UHFFFAOYSA-N
MW201.22 g/mol
LogP-0.14
Rot. Bonds5

About 2-(2-methoxyethylcarbamoyl)cyclobutane-1-carboxylic acid

2-(2-methoxyethylcarbamoyl)cyclobutane-1-carboxylic acid (PubChem CID 120974198) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-(2-methoxyethylcarbamoyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-methoxyethylcarbamoyl)cyclobutane-1-carboxylic acid
PubChem CID120974198
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2-(2-methoxyethylcarbamoyl)cyclobutane-1-carboxylic acid
SMILESCOCCNC(=O)C1CCC1C(=O)O
InChIInChI=1S/C9H15NO4/c1-14-5-4-10-8(11)6-2-3-7(6)9(12)13/h6-7H,2-5H2,1H3,(H,10,11)(H,12,13)
InChIKeyNXMDOGFUPDLHNV-UHFFFAOYSA-N
XLogP-0.14
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 5-0.14
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

2-[3-(2-methoxyethoxy)propylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974582
2-[5-(2-methoxyethylcarbamoyl)-2-methylpiperidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120975412
1-N-cyclopentyl-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide
CID 109131989
2-(3,3-dimethylbutylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120975213
cis-(1S,2R)-2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 114092791
2-[2-(4-tert-butylphenoxy)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974527
2-(2-methoxyethoxycarbamoyl)cyclohexane-1-carboxylic acid
CID 82706757
2-[2-(methanesulfonamido)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120976004
2-(3-methylsulfanylpropylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120974758
4-ethyl-2-(4-methoxybutylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114511716
2-(2-butoxyethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 61171060
cis-(1R,2S)-2-[2-(4-bromophenoxy)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 167806687

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylcarbamoyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 2-(2-methoxyethylcarbamoyl)cyclobutane-1-carboxylic acid (CID 120974198) is 2-(2-methoxyethylcarbamoyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-(2-methoxyethylcarbamoyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-(2-methoxyethylcarbamoyl)cyclobutane-1-carboxylic acid is COCCNC(=O)C1CCC1C(=O)O.
What is the InChIKey of 2-(2-methoxyethylcarbamoyl)cyclobutane-1-carboxylic acid?
The InChIKey is NXMDOGFUPDLHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-14-5-4-10-8(11)6-2-3-7(6)9(12)13/h6-7H,2-5H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 2-(2-methoxyethylcarbamoyl)cyclobutane-1-carboxylic acid?
2-(2-methoxyethylcarbamoyl)cyclobutane-1-carboxylic acid has a molecular weight of 201.22 g/mol, XLogP of -0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylcarbamoyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120974198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).