2-[1-[[(2,2-dimethyloxan-4-yl)carbamoylamino]methyl]cyclobutyl]acetic acid

C15H26N2O4 — CID 83034492

IUPAC2-[1-[[(2,2-dimethyloxan-4-yl)carbamoylamino]methyl]cyclobutyl]acetic acid
SMILESCC1(C)CC(NC(=O)NCC2(CC(=O)O)CCC2)CCO1
InChIInChI=1S/C15H26N2O4/c1-14(2)8-11(4-7-21-14)17-13(20)16-10-15(5-3-6-15)9-12(18)19/h11H,3-10H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyAFTBQMASWDSVHR-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.89
Rot. Bonds5

About 2-[1-[[(2,2-dimethyloxan-4-yl)carbamoylamino]methyl]cyclobutyl]acetic acid

2-[1-[[(2,2-dimethyloxan-4-yl)carbamoylamino]methyl]cyclobutyl]acetic acid (PubChem CID 83034492) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-[1-[[(2,2-dimethyloxan-4-yl)carbamoylamino]methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[(2,2-dimethyloxan-4-yl)carbamoylamino]methyl]cyclobutyl]acetic acid
PubChem CID83034492
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name2-[1-[[(2,2-dimethyloxan-4-yl)carbamoylamino]methyl]cyclobutyl]acetic acid
SMILESCC1(C)CC(NC(=O)NCC2(CC(=O)O)CCC2)CCO1
InChIInChI=1S/C15H26N2O4/c1-14(2)8-11(4-7-21-14)17-13(20)16-10-15(5-3-6-15)9-12(18)19/h11H,3-10H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyAFTBQMASWDSVHR-UHFFFAOYSA-N
XLogP1.89
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(cyclohexylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 81164862
2-[1-[[(2,3-dimethylcyclopentyl)carbamoylamino]methyl]cyclobutyl]acetic acid
CID 81162990
4-[(2,2-dimethyloxan-4-yl)carbamoylamino]-2-methylbutanoic acid
CID 83029194
2-[1-[[(1-methylcyclopentyl)methylcarbamoylamino]methyl]cyclobutyl]acetic acid
CID 81162365
2-[1-[[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]methyl]cyclobutyl]acetic acid
CID 81162871
2-[1-[[(2,2-dimethylcyclopropanecarbonyl)amino]methyl]cyclobutyl]acetic acid
CID 107000485
(2S)-2-[(2,2-dimethyloxan-4-yl)carbamoylamino]-3-hydroxypropanoic acid
CID 83028517
4-amino-5-[(2,2-dimethyloxan-4-yl)amino]-5-oxopentanoic acid
CID 83032758
5-[[(2,2-dimethyloxan-4-yl)carbamoylamino]methyl]furan-2-carboxamide
CID 138993064
1-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-(oxolan-3-yl)urea
CID 112703946
1-cyclopropyl-3-[[1-(methylaminomethyl)cyclobutyl]methyl]urea
CID 115267566
2-[1-[[(1-methylcyclopentyl)carbamoylamino]methyl]cyclohexyl]acetic acid
CID 64686653

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(2,2-dimethyloxan-4-yl)carbamoylamino]methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[(2,2-dimethyloxan-4-yl)carbamoylamino]methyl]cyclobutyl]acetic acid (CID 83034492) is 2-[1-[[(2,2-dimethyloxan-4-yl)carbamoylamino]methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[(2,2-dimethyloxan-4-yl)carbamoylamino]methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[(2,2-dimethyloxan-4-yl)carbamoylamino]methyl]cyclobutyl]acetic acid is CC1(C)CC(NC(=O)NCC2(CC(=O)O)CCC2)CCO1.
What is the InChIKey of 2-[1-[[(2,2-dimethyloxan-4-yl)carbamoylamino]methyl]cyclobutyl]acetic acid?
The InChIKey is AFTBQMASWDSVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-14(2)8-11(4-7-21-14)17-13(20)16-10-15(5-3-6-15)9-12(18)19/h11H,3-10H2,1-2H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[1-[[(2,2-dimethyloxan-4-yl)carbamoylamino]methyl]cyclobutyl]acetic acid?
2-[1-[[(2,2-dimethyloxan-4-yl)carbamoylamino]methyl]cyclobutyl]acetic acid has a molecular weight of 298.38 g/mol, XLogP of 1.89, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(2,2-dimethyloxan-4-yl)carbamoylamino]methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 83034492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).