2-[1-[[[4-(methylamino)oxolane-3-carbonyl]amino]methyl]cyclobutyl]acetic acid

C13H22N2O4 — CID 81161098

IUPAC2-[1-[[[4-(methylamino)oxolane-3-carbonyl]amino]methyl]cyclobutyl]acetic acid
SMILESCNC1COCC1C(=O)NCC1(CC(=O)O)CCC1
InChIInChI=1S/C13H22N2O4/c1-14-10-7-19-6-9(10)12(18)15-8-13(3-2-4-13)5-11(16)17/h9-10,14H,2-8H2,1H3,(H,15,18)(H,16,17)
InChIKeyUPRMOSBRLMYASU-UHFFFAOYSA-N
MW270.33 g/mol
LogP-0.02
Rot. Bonds6

About 2-[1-[[[4-(methylamino)oxolane-3-carbonyl]amino]methyl]cyclobutyl]acetic acid

2-[1-[[[4-(methylamino)oxolane-3-carbonyl]amino]methyl]cyclobutyl]acetic acid (PubChem CID 81161098) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[1-[[[4-(methylamino)oxolane-3-carbonyl]amino]methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[[4-(methylamino)oxolane-3-carbonyl]amino]methyl]cyclobutyl]acetic acid
PubChem CID81161098
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name2-[1-[[[4-(methylamino)oxolane-3-carbonyl]amino]methyl]cyclobutyl]acetic acid
SMILESCNC1COCC1C(=O)NCC1(CC(=O)O)CCC1
InChIInChI=1S/C13H22N2O4/c1-14-10-7-19-6-9(10)12(18)15-8-13(3-2-4-13)5-11(16)17/h9-10,14H,2-8H2,1H3,(H,15,18)(H,16,17)
InChIKeyUPRMOSBRLMYASU-UHFFFAOYSA-N
XLogP-0.02
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[1-[[[4-(methylamino)oxolane-3-carbonyl]amino]methyl]cyclobutyl]acetic acid with MolForge

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Related Compounds

4-(ethylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]oxolane-3-carboxamide
CID 103966758
4-(methylamino)-N-[(2-methylthiolan-2-yl)methyl]oxolane-3-carboxamide
CID 80736421
N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(methylamino)oxolane-3-carboxamide
CID 107163991
2-[1-[[(2,2-dimethylcyclopropanecarbonyl)amino]methyl]cyclobutyl]acetic acid
CID 107000485
2-[1-[(cycloheptanecarbonylamino)methyl]cyclobutyl]acetic acid
CID 81164488
2-[1-[(cyclohexanecarbonylamino)methyl]cyclobutyl]acetic acid
CID 81164623
2-[1-[[[(2R)-oxolane-2-carbonyl]amino]methyl]cyclobutyl]acetic acid
CID 104855883
2-[1-[(oxolane-2-carbonylamino)methyl]cyclobutyl]acetic acid
CID 81163593
N-(2,3-dimethylbutyl)-4-(methylamino)oxolane-3-carboxamide
CID 66267245
N-[(1-methylcyclopentyl)methyl]-4-(propylamino)oxolane-3-carboxamide
CID 66257137
N-hexyl-4-(methylamino)oxolane-3-carboxamide
CID 66266175
2-[1-[[(4-amino-3-methyloxolane-3-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 81161976

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[[4-(methylamino)oxolane-3-carbonyl]amino]methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[[4-(methylamino)oxolane-3-carbonyl]amino]methyl]cyclobutyl]acetic acid (CID 81161098) is 2-[1-[[[4-(methylamino)oxolane-3-carbonyl]amino]methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[[4-(methylamino)oxolane-3-carbonyl]amino]methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[[4-(methylamino)oxolane-3-carbonyl]amino]methyl]cyclobutyl]acetic acid is CNC1COCC1C(=O)NCC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-[[[4-(methylamino)oxolane-3-carbonyl]amino]methyl]cyclobutyl]acetic acid?
The InChIKey is UPRMOSBRLMYASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-14-10-7-19-6-9(10)12(18)15-8-13(3-2-4-13)5-11(16)17/h9-10,14H,2-8H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 2-[1-[[[4-(methylamino)oxolane-3-carbonyl]amino]methyl]cyclobutyl]acetic acid?
2-[1-[[[4-(methylamino)oxolane-3-carbonyl]amino]methyl]cyclobutyl]acetic acid has a molecular weight of 270.33 g/mol, XLogP of -0.02, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[[4-(methylamino)oxolane-3-carbonyl]amino]methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 81161098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).