1-[(4-propan-2-yloxybutylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid

C14H26N2O4 — CID 106004382

IUPAC1-[(4-propan-2-yloxybutylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid
SMILESCC(C)OCCCCNC(=O)NCC1(C(=O)O)CCC1
InChIInChI=1S/C14H26N2O4/c1-11(2)20-9-4-3-8-15-13(19)16-10-14(12(17)18)6-5-7-14/h11H,3-10H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyRNENOZWIFPNBKA-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.75
Rot. Bonds9

About 1-[(4-propan-2-yloxybutylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid

1-[(4-propan-2-yloxybutylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid (PubChem CID 106004382) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-[(4-propan-2-yloxybutylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-propan-2-yloxybutylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid
PubChem CID106004382
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name1-[(4-propan-2-yloxybutylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid
SMILESCC(C)OCCCCNC(=O)NCC1(C(=O)O)CCC1
InChIInChI=1S/C14H26N2O4/c1-11(2)20-9-4-3-8-15-13(19)16-10-14(12(17)18)6-5-7-14/h11H,3-10H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyRNENOZWIFPNBKA-UHFFFAOYSA-N
XLogP1.75
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-methoxybutylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115451502
1-[[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 106038890
1-[(4-methylpentylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid
CID 113309359
1-(4-propan-2-yloxybutylcarbamoyl)cyclobutane-1-carboxylic acid
CID 106005703
1-[(pentylcarbamoylamino)methyl]cycloheptane-1-carboxylic acid
CID 115444674
1-[(5-methylhexylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 113312630
1-[(1-hydroxycyclohexyl)methyl]-3-(3-propan-2-yloxypropyl)urea
CID 110936450
1-[(3-ethoxypropylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid
CID 115433979
1-[(1-phenylcyclobutyl)methyl]-3-(3-propan-2-yloxypropyl)urea
CID 86925087
1-[[3-(methylamino)propylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 115436781
1-amino-N-(4-propan-2-yloxybutyl)cyclobutane-1-carboxamide
CID 106011328
1-[(4,4,4-trifluorobutylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid
CID 113327941

Frequently Asked Questions

What is the IUPAC name of 1-[(4-propan-2-yloxybutylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(4-propan-2-yloxybutylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid (CID 106004382) is 1-[(4-propan-2-yloxybutylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-propan-2-yloxybutylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(4-propan-2-yloxybutylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid is CC(C)OCCCCNC(=O)NCC1(C(=O)O)CCC1.
What is the InChIKey of 1-[(4-propan-2-yloxybutylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid?
The InChIKey is RNENOZWIFPNBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-11(2)20-9-4-3-8-15-13(19)16-10-14(12(17)18)6-5-7-14/h11H,3-10H2,1-2H3,(H,17,18)(H2,15,16,19).
What are the key properties of 1-[(4-propan-2-yloxybutylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid?
1-[(4-propan-2-yloxybutylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid has a molecular weight of 286.37 g/mol, XLogP of 1.75, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-propan-2-yloxybutylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 106004382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).