1-[[2-(cyclopropylmethoxy)ethyl-methylcarbamoyl]amino]cyclobutane-1-carboxylic acid

C13H22N2O4 — CID 81163350

IUPAC1-[[2-(cyclopropylmethoxy)ethyl-methylcarbamoyl]amino]cyclobutane-1-carboxylic acid
SMILESCN(CCOCC1CC1)C(=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C13H22N2O4/c1-15(7-8-19-9-10-3-4-10)12(18)14-13(11(16)17)5-2-6-13/h10H,2-9H2,1H3,(H,14,18)(H,16,17)
InChIKeyLYNBHXYMQGGVPX-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.06
Rot. Bonds7

About 1-[[2-(cyclopropylmethoxy)ethyl-methylcarbamoyl]amino]cyclobutane-1-carboxylic acid

1-[[2-(cyclopropylmethoxy)ethyl-methylcarbamoyl]amino]cyclobutane-1-carboxylic acid (PubChem CID 81163350) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-[[2-(cyclopropylmethoxy)ethyl-methylcarbamoyl]amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(cyclopropylmethoxy)ethyl-methylcarbamoyl]amino]cyclobutane-1-carboxylic acid
PubChem CID81163350
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name1-[[2-(cyclopropylmethoxy)ethyl-methylcarbamoyl]amino]cyclobutane-1-carboxylic acid
SMILESCN(CCOCC1CC1)C(=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C13H22N2O4/c1-15(7-8-19-9-10-3-4-10)12(18)14-13(11(16)17)5-2-6-13/h10H,2-9H2,1H3,(H,14,18)(H,16,17)
InChIKeyLYNBHXYMQGGVPX-UHFFFAOYSA-N
XLogP1.06
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.06
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

1-[[2-ethoxyethyl(methyl)carbamoyl]amino]cyclopropane-1-carboxylic acid
CID 81057648
3-cyclohexyl-1-[2-(cyclopropylmethoxy)ethyl]-1-methylurea
CID 115686592
1-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 55227355
1-[[methyl(propyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61196038
1-[[cyclohexylmethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 61443760
1-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 55002384
1-[[cyclohexylmethyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61443714
1-[[methyl(pentyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 61197210
N-[2-(cyclopropylmethoxy)ethyl]-2-(cyclopropylmethylamino)-N-methylacetamide;hydrochloride
CID 119813290
1-[[methyl(2-methylpropyl)carbamoyl]amino]cyclobutane-1-carboxylic acid
CID 81162794
3-[2-(cyclopropylmethoxy)ethyl-methylamino]-2,2-dimethyl-3-oxopropanoic acid
CID 82821123
1-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 61452408

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(cyclopropylmethoxy)ethyl-methylcarbamoyl]amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[2-(cyclopropylmethoxy)ethyl-methylcarbamoyl]amino]cyclobutane-1-carboxylic acid (CID 81163350) is 1-[[2-(cyclopropylmethoxy)ethyl-methylcarbamoyl]amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(cyclopropylmethoxy)ethyl-methylcarbamoyl]amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(cyclopropylmethoxy)ethyl-methylcarbamoyl]amino]cyclobutane-1-carboxylic acid is CN(CCOCC1CC1)C(=O)NC1(C(=O)O)CCC1.
What is the InChIKey of 1-[[2-(cyclopropylmethoxy)ethyl-methylcarbamoyl]amino]cyclobutane-1-carboxylic acid?
The InChIKey is LYNBHXYMQGGVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-15(7-8-19-9-10-3-4-10)12(18)14-13(11(16)17)5-2-6-13/h10H,2-9H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 1-[[2-(cyclopropylmethoxy)ethyl-methylcarbamoyl]amino]cyclobutane-1-carboxylic acid?
1-[[2-(cyclopropylmethoxy)ethyl-methylcarbamoyl]amino]cyclobutane-1-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(cyclopropylmethoxy)ethyl-methylcarbamoyl]amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81163350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).