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

C13H22N2O4 — CID 81161976

IUPAC2-[1-[[(4-amino-3-methyloxolane-3-carbonyl)amino]methyl]cyclobutyl]acetic acid
SMILESCC1(C(=O)NCC2(CC(=O)O)CCC2)COCC1N
InChIInChI=1S/C13H22N2O4/c1-12(8-19-6-9(12)14)11(18)15-7-13(3-2-4-13)5-10(16)17/h9H,2-8,14H2,1H3,(H,15,18)(H,16,17)
InChIKeyRQIPHZYAHQOLIP-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.11
Rot. Bonds5

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

2-[1-[[(4-amino-3-methyloxolane-3-carbonyl)amino]methyl]cyclobutyl]acetic acid (PubChem CID 81161976) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[1-[[(4-amino-3-methyloxolane-3-carbonyl)amino]methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[(4-amino-3-methyloxolane-3-carbonyl)amino]methyl]cyclobutyl]acetic acid
PubChem CID81161976
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name2-[1-[[(4-amino-3-methyloxolane-3-carbonyl)amino]methyl]cyclobutyl]acetic acid
SMILESCC1(C(=O)NCC2(CC(=O)O)CCC2)COCC1N
InChIInChI=1S/C13H22N2O4/c1-12(8-19-6-9(12)14)11(18)15-7-13(3-2-4-13)5-10(16)17/h9H,2-8,14H2,1H3,(H,15,18)(H,16,17)
InChIKeyRQIPHZYAHQOLIP-UHFFFAOYSA-N
XLogP0.11
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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Related Compounds

4-[[(4-amino-3-methyloxolane-3-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 115439840
2-[2-[(4-amino-3-methyloxolane-3-carbonyl)amino]ethoxy]acetic acid
CID 79457673
4-amino-N-[1-(hydroxymethyl)cyclohexyl]-3-methyloxolane-3-carboxamide
CID 66263746
4-amino-N-[2-(ethylamino)-2-oxoethyl]-3-methyloxolane-3-carboxamide
CID 66250212
2-[1-[[(2,2-dimethylcyclopropanecarbonyl)amino]methyl]cyclobutyl]acetic acid
CID 107000485
4-amino-N-(3-ethyl-2-hydroxypentyl)-3-methyloxolane-3-carboxamide
CID 106286460
4-amino-3-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]oxolane-3-carboxamide
CID 113405137
4-amino-N-(2-ethoxyethyl)-3-methyloxolane-3-carboxamide
CID 66249824
2-[1-[(dimethylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 81164855
4-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-3-methyloxolane-3-carboxamide
CID 66264467
2-[1-[[[1-(aminomethyl)cycloheptanecarbonyl]amino]methyl]cyclobutyl]acetic acid
CID 115444268
4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methyloxolane-3-carboxamide
CID 66263890

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(4-amino-3-methyloxolane-3-carbonyl)amino]methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[(4-amino-3-methyloxolane-3-carbonyl)amino]methyl]cyclobutyl]acetic acid (CID 81161976) is 2-[1-[[(4-amino-3-methyloxolane-3-carbonyl)amino]methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[(4-amino-3-methyloxolane-3-carbonyl)amino]methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[(4-amino-3-methyloxolane-3-carbonyl)amino]methyl]cyclobutyl]acetic acid is CC1(C(=O)NCC2(CC(=O)O)CCC2)COCC1N.
What is the InChIKey of 2-[1-[[(4-amino-3-methyloxolane-3-carbonyl)amino]methyl]cyclobutyl]acetic acid?
The InChIKey is RQIPHZYAHQOLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-12(8-19-6-9(12)14)11(18)15-7-13(3-2-4-13)5-10(16)17/h9H,2-8,14H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 2-[1-[[(4-amino-3-methyloxolane-3-carbonyl)amino]methyl]cyclobutyl]acetic acid?
2-[1-[[(4-amino-3-methyloxolane-3-carbonyl)amino]methyl]cyclobutyl]acetic acid has a molecular weight of 270.33 g/mol, XLogP of 0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(4-amino-3-methyloxolane-3-carbonyl)amino]methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 81161976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).