2-[[3-[(2,5-dimethyloxolan-3-yl)amino]cyclobutyl]-ethylamino]acetic acid

C14H26N2O3 — CID 122042160

IUPAC2-[[3-[(2,5-dimethyloxolan-3-yl)amino]cyclobutyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC2CC(C)OC2C)C1
InChIInChI=1S/C14H26N2O3/c1-4-16(8-14(17)18)12-6-11(7-12)15-13-5-9(2)19-10(13)3/h9-13,15H,4-8H2,1-3H3,(H,17,18)
InChIKeyVMNFWPNMOBBHFB-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.08
Rot. Bonds6

About 2-[[3-[(2,5-dimethyloxolan-3-yl)amino]cyclobutyl]-ethylamino]acetic acid

2-[[3-[(2,5-dimethyloxolan-3-yl)amino]cyclobutyl]-ethylamino]acetic acid (PubChem CID 122042160) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-[[3-[(2,5-dimethyloxolan-3-yl)amino]cyclobutyl]-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-[(2,5-dimethyloxolan-3-yl)amino]cyclobutyl]-ethylamino]acetic acid
PubChem CID122042160
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-[[3-[(2,5-dimethyloxolan-3-yl)amino]cyclobutyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC2CC(C)OC2C)C1
InChIInChI=1S/C14H26N2O3/c1-4-16(8-14(17)18)12-6-11(7-12)15-13-5-9(2)19-10(13)3/h9-13,15H,4-8H2,1-3H3,(H,17,18)
InChIKeyVMNFWPNMOBBHFB-UHFFFAOYSA-N
XLogP1.08
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[3-[(2,5-dimethyloxolan-3-yl)amino]cyclobutyl]-ethylamino]acetic acid with MolForge

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Related Compounds

2-[cyclopropylmethyl-[3-[(2,5-dimethyloxolan-3-yl)amino]cyclobutyl]amino]acetic acid
CID 122041392
2-[[3-(cyclooctylamino)cyclobutyl]-ethylamino]acetic acid
CID 122042803
2-[[3-[(3-tert-butylcyclobutyl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122042136
2-[[3-[(3,4-dimethylcyclohexyl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122042518
2-[ethyl-[3-[(2-methylmorpholine-4-carbonyl)amino]cyclobutyl]amino]acetic acid
CID 122025885
2-[ethyl-[3-[(3-methyl-2-propan-2-ylbutyl)amino]cyclobutyl]amino]acetic acid
CID 122042252
2-[cyclopropylmethyl-[3-[(2-ethylcyclobutyl)amino]cyclobutyl]amino]acetic acid
CID 122041478
2-[[3-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122042197
2-[[3-[[(1R)-1-cyclopropylethyl]carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122026475
2-[ethyl-[3-[(4-methyl-4-phenylcyclohexyl)amino]cyclobutyl]amino]acetic acid
CID 122042745
2-[ethyl-[3-[(2,2,4-trimethylpyrrolidine-1-carbonyl)amino]cyclobutyl]amino]acetic acid
CID 122026329
2-[[3-(cyclobutylmethylsulfonylamino)cyclobutyl]-ethylamino]acetic acid
CID 122070345

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(2,5-dimethyloxolan-3-yl)amino]cyclobutyl]-ethylamino]acetic acid?
The IUPAC name of 2-[[3-[(2,5-dimethyloxolan-3-yl)amino]cyclobutyl]-ethylamino]acetic acid (CID 122042160) is 2-[[3-[(2,5-dimethyloxolan-3-yl)amino]cyclobutyl]-ethylamino]acetic acid.
What is the SMILES notation for 2-[[3-[(2,5-dimethyloxolan-3-yl)amino]cyclobutyl]-ethylamino]acetic acid?
The canonical SMILES for 2-[[3-[(2,5-dimethyloxolan-3-yl)amino]cyclobutyl]-ethylamino]acetic acid is CCN(CC(=O)O)C1CC(NC2CC(C)OC2C)C1.
What is the InChIKey of 2-[[3-[(2,5-dimethyloxolan-3-yl)amino]cyclobutyl]-ethylamino]acetic acid?
The InChIKey is VMNFWPNMOBBHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-16(8-14(17)18)12-6-11(7-12)15-13-5-9(2)19-10(13)3/h9-13,15H,4-8H2,1-3H3,(H,17,18).
What are the key properties of 2-[[3-[(2,5-dimethyloxolan-3-yl)amino]cyclobutyl]-ethylamino]acetic acid?
2-[[3-[(2,5-dimethyloxolan-3-yl)amino]cyclobutyl]-ethylamino]acetic acid has a molecular weight of 270.37 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(2,5-dimethyloxolan-3-yl)amino]cyclobutyl]-ethylamino]acetic acid is sourced from PubChem (CID 122042160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).