2-[cyclohexyl(oxetan-3-yl)amino]acetic acid

C11H19NO3 — CID 83821316

IUPAC2-[cyclohexyl(oxetan-3-yl)amino]acetic acid
SMILESO=C(O)CN(C1CCCCC1)C1COC1
InChIInChI=1S/C11H19NO3/c13-11(14)6-12(10-7-15-8-10)9-4-2-1-3-5-9/h9-10H,1-8H2,(H,13,14)
InChIKeyJDLYWFNTESUORJ-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.10
Rot. Bonds4

About 2-[cyclohexyl(oxetan-3-yl)amino]acetic acid

2-[cyclohexyl(oxetan-3-yl)amino]acetic acid (PubChem CID 83821316) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[cyclohexyl(oxetan-3-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclohexyl(oxetan-3-yl)amino]acetic acid
PubChem CID83821316
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-[cyclohexyl(oxetan-3-yl)amino]acetic acid
SMILESO=C(O)CN(C1CCCCC1)C1COC1
InChIInChI=1S/C11H19NO3/c13-11(14)6-12(10-7-15-8-10)9-4-2-1-3-5-9/h9-10H,1-8H2,(H,13,14)
InChIKeyJDLYWFNTESUORJ-UHFFFAOYSA-N
XLogP1.10
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(oxetan-3-yl)amino]acetic acid
CID 82417781
2-[cycloheptyl(methyl)amino]acetic acid
CID 43409736
1-(dicyclohexylamino)propan-2-one
CID 43219211
2-[cyclopropyl(6-oxaspiro[4.5]decan-9-yl)amino]acetic acid
CID 79894047
2-[cyclopentyl-(2-propyloxan-4-yl)amino]acetic acid
CID 65058458
2-[carboxymethyl(oxolan-3-yl)amino]acetic acid
CID 63644632
2-[cyclopentyl(2,3-dihydro-1,4-dioxine-5-carbonyl)amino]acetic acid
CID 60826600
2-[cyclopentyl-(2-methylsulfonylcyclopentyl)amino]acetic acid
CID 65058653
[carboxy(cyclohexyl)amino]methyl-cyclohexylcarbamic acid
CID 151845320
2-[cyclopropyl(1,4-dioxaspiro[4.5]decan-8-yl)amino]acetic acid
CID 65058158
2-[cyclohexyl(deuteriomethyl)amino]acetic acid
CID 176582981
2-(dicyclohexylamino)-1-pyrrolidin-1-ylethanone
CID 78843214

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(oxetan-3-yl)amino]acetic acid?
The IUPAC name of 2-[cyclohexyl(oxetan-3-yl)amino]acetic acid (CID 83821316) is 2-[cyclohexyl(oxetan-3-yl)amino]acetic acid.
What is the SMILES notation for 2-[cyclohexyl(oxetan-3-yl)amino]acetic acid?
The canonical SMILES for 2-[cyclohexyl(oxetan-3-yl)amino]acetic acid is O=C(O)CN(C1CCCCC1)C1COC1.
What is the InChIKey of 2-[cyclohexyl(oxetan-3-yl)amino]acetic acid?
The InChIKey is JDLYWFNTESUORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c13-11(14)6-12(10-7-15-8-10)9-4-2-1-3-5-9/h9-10H,1-8H2,(H,13,14).
What are the key properties of 2-[cyclohexyl(oxetan-3-yl)amino]acetic acid?
2-[cyclohexyl(oxetan-3-yl)amino]acetic acid has a molecular weight of 213.28 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(oxetan-3-yl)amino]acetic acid is sourced from PubChem (CID 83821316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).