2-[1-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]cyclobutyl]acetic acid

C14H26N2O5 — CID 79842452

IUPAC2-[1-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]cyclobutyl]acetic acid
SMILESCOCCCN(CCOC)C(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C14H26N2O5/c1-20-9-4-7-16(8-10-21-2)13(19)15-14(5-3-6-14)11-12(17)18/h3-11H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyIRPRCKBFQMTIJS-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.08
Rot. Bonds10

About 2-[1-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]cyclobutyl]acetic acid

2-[1-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]cyclobutyl]acetic acid (PubChem CID 79842452) has the molecular formula C14H26N2O5 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-[1-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]cyclobutyl]acetic acid
PubChem CID79842452
Molecular FormulaC14H26N2O5
Molecular Weight302.37 g/mol
Exact Mass302.18
IUPAC Name2-[1-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]cyclobutyl]acetic acid
SMILESCOCCCN(CCOC)C(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C14H26N2O5/c1-20-9-4-7-16(8-10-21-2)13(19)15-14(5-3-6-14)11-12(17)18/h3-11H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyIRPRCKBFQMTIJS-UHFFFAOYSA-N
XLogP1.08
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.08
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-[1-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 103339758
2-[1-(dipropylcarbamoylamino)cyclobutyl]acetic acid
CID 79845566
2-[1-(dipropylcarbamoylamino)cyclopentyl]acetic acid
CID 64702576
2-[1-(dipropylcarbamoylamino)cyclohexyl]acetic acid
CID 64702575
2-[1-[[butyl(2-hydroxyethyl)carbamoyl]amino]cyclohexyl]acetic acid
CID 64700480
2-[1-[[ethyl(propyl)carbamoyl]amino]cyclopentyl]acetic acid
CID 64700256
2-[1-(diethylcarbamoylamino)cyclopentyl]acetic acid
CID 64701206
2-[1-(3-methoxypropanoylamino)cyclohexyl]acetic acid
CID 64672330
2-[1-[[ethyl(2-methylpropyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79845178
2-[1-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 81057853
2-[1-[[2-(2-methoxyethoxy)acetyl]amino]cyclopentyl]acetic acid
CID 64673171
1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62096795

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]cyclobutyl]acetic acid (CID 79842452) is 2-[1-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]cyclobutyl]acetic acid is COCCCN(CCOC)C(=O)NC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]cyclobutyl]acetic acid?
The InChIKey is IRPRCKBFQMTIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O5/c1-20-9-4-7-16(8-10-21-2)13(19)15-14(5-3-6-14)11-12(17)18/h3-11H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 2-[1-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]cyclobutyl]acetic acid?
2-[1-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]cyclobutyl]acetic acid has a molecular weight of 302.37 g/mol, XLogP of 1.08, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]cyclobutyl]acetic acid is sourced from PubChem (CID 79842452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).