2-[3-(2-methoxyethoxy)propylcarbamoyl]cyclobutane-1-carboxylic acid

C12H21NO5 — CID 120974582

IUPAC2-[3-(2-methoxyethoxy)propylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESCOCCOCCCNC(=O)C1CCC1C(=O)O
InChIInChI=1S/C12H21NO5/c1-17-7-8-18-6-2-5-13-11(14)9-3-4-10(9)12(15)16/h9-10H,2-8H2,1H3,(H,13,14)(H,15,16)
InChIKeyRTAAKPSSIFIUNV-UHFFFAOYSA-N
MW259.30 g/mol
LogP0.27
Rot. Bonds9

About 2-[3-(2-methoxyethoxy)propylcarbamoyl]cyclobutane-1-carboxylic acid

2-[3-(2-methoxyethoxy)propylcarbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 120974582) has the molecular formula C12H21NO5 and a molecular weight of 259.30 g/mol. Its IUPAC name is 2-[3-(2-methoxyethoxy)propylcarbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[3-(2-methoxyethoxy)propylcarbamoyl]cyclobutane-1-carboxylic acid
PubChem CID120974582
Molecular FormulaC12H21NO5
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name2-[3-(2-methoxyethoxy)propylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESCOCCOCCCNC(=O)C1CCC1C(=O)O
InChIInChI=1S/C12H21NO5/c1-17-7-8-18-6-2-5-13-11(14)9-3-4-10(9)12(15)16/h9-10H,2-8H2,1H3,(H,13,14)(H,15,16)
InChIKeyRTAAKPSSIFIUNV-UHFFFAOYSA-N
XLogP0.27
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120974198
2-(3-dodecoxypropylcarbamoyl)cyclohexane-1-carboxylic acid
CID 154136601
2-(4-fluorophenyl)-N-[3-(2-methoxyethoxy)propyl]cyclopropane-1-carboxamide
CID 134009740
2-(3-ethoxypropylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid
CID 114390371
trans-(1S,2S)-2-(3-propan-2-yloxypropylcarbamoyl)cyclohexane-1-carboxylic acid
CID 7316355
2-(3-methylsulfanylpropylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120974758
2-(2-butoxyethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 61171060
2-amino-N-[4-(2-methoxyethoxy)butyl]cyclohexane-1-carboxamide
CID 115738981
4-ethyl-2-(4-methoxybutylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114511716
N-(3-methoxypropyl)cyclopropanecarboxamide
CID 5052597
2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropane-1-carboxamide
CID 78858799
3-(5-methoxypentylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114129707

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyethoxy)propylcarbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[3-(2-methoxyethoxy)propylcarbamoyl]cyclobutane-1-carboxylic acid (CID 120974582) is 2-[3-(2-methoxyethoxy)propylcarbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[3-(2-methoxyethoxy)propylcarbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[3-(2-methoxyethoxy)propylcarbamoyl]cyclobutane-1-carboxylic acid is COCCOCCCNC(=O)C1CCC1C(=O)O.
What is the InChIKey of 2-[3-(2-methoxyethoxy)propylcarbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is RTAAKPSSIFIUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO5/c1-17-7-8-18-6-2-5-13-11(14)9-3-4-10(9)12(15)16/h9-10H,2-8H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-[3-(2-methoxyethoxy)propylcarbamoyl]cyclobutane-1-carboxylic acid?
2-[3-(2-methoxyethoxy)propylcarbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 259.30 g/mol, XLogP of 0.27, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyethoxy)propylcarbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120974582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).