2-[cyclopentyl(2,3-dihydro-1,4-dioxine-5-carbonyl)amino]acetic acid

C12H17NO5 — CID 60826600

IUPAC2-[cyclopentyl(2,3-dihydro-1,4-dioxine-5-carbonyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)C1=COCCO1)C1CCCC1
InChIInChI=1S/C12H17NO5/c14-11(15)7-13(9-3-1-2-4-9)12(16)10-8-17-5-6-18-10/h8-9H,1-7H2,(H,14,15)
InChIKeyKLYRZEHINRMFJP-UHFFFAOYSA-N
MW255.27 g/mol
LogP0.73
Rot. Bonds4

About 2-[cyclopentyl(2,3-dihydro-1,4-dioxine-5-carbonyl)amino]acetic acid

2-[cyclopentyl(2,3-dihydro-1,4-dioxine-5-carbonyl)amino]acetic acid (PubChem CID 60826600) has the molecular formula C12H17NO5 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-[cyclopentyl(2,3-dihydro-1,4-dioxine-5-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl(2,3-dihydro-1,4-dioxine-5-carbonyl)amino]acetic acid
PubChem CID60826600
Molecular FormulaC12H17NO5
Molecular Weight255.27 g/mol
Exact Mass255.11
IUPAC Name2-[cyclopentyl(2,3-dihydro-1,4-dioxine-5-carbonyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)C1=COCCO1)C1CCCC1
InChIInChI=1S/C12H17NO5/c14-11(15)7-13(9-3-1-2-4-9)12(16)10-8-17-5-6-18-10/h8-9H,1-7H2,(H,14,15)
InChIKeyKLYRZEHINRMFJP-UHFFFAOYSA-N
XLogP0.73
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)acetic acid
CID 28789456
2-[cyclohexyl(oxetan-3-yl)amino]acetic acid
CID 83821316
2-[cyclopentyl-(5-nitrothiophene-2-carbonyl)amino]acetic acid
CID 60826019
2-[cyclopentyl-(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]acetic acid
CID 60826942
2-[(4-cyclopentyloxybenzoyl)-(oxan-4-yl)amino]acetic acid
CID 167903833
2-[cyclohexyl-[1-(difluoromethyl)pyrazole-4-carbonyl]amino]acetic acid
CID 136556229
2-[cyclohexyl-(6-methylpyridazine-4-carbonyl)amino]acetic acid
CID 136556228
N-[[(2R)-oxolan-2-yl]methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 94102328
2-[cyclopentyl-(1-methylpyrazole-4-carbonyl)amino]acetic acid
CID 54926515
2-[(2-cyclohexylacetyl)-cyclopentylamino]acetic acid
CID 60826296
2-[cyclopentyl(1,2,4-oxadiazol-3-ylmethylcarbamoyl)amino]acetic acid
CID 114184369
2-[cycloheptyl(methyl)amino]acetic acid
CID 43409736

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(2,3-dihydro-1,4-dioxine-5-carbonyl)amino]acetic acid?
The IUPAC name of 2-[cyclopentyl(2,3-dihydro-1,4-dioxine-5-carbonyl)amino]acetic acid (CID 60826600) is 2-[cyclopentyl(2,3-dihydro-1,4-dioxine-5-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl(2,3-dihydro-1,4-dioxine-5-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl(2,3-dihydro-1,4-dioxine-5-carbonyl)amino]acetic acid is O=C(O)CN(C(=O)C1=COCCO1)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(2,3-dihydro-1,4-dioxine-5-carbonyl)amino]acetic acid?
The InChIKey is KLYRZEHINRMFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5/c14-11(15)7-13(9-3-1-2-4-9)12(16)10-8-17-5-6-18-10/h8-9H,1-7H2,(H,14,15).
What are the key properties of 2-[cyclopentyl(2,3-dihydro-1,4-dioxine-5-carbonyl)amino]acetic acid?
2-[cyclopentyl(2,3-dihydro-1,4-dioxine-5-carbonyl)amino]acetic acid has a molecular weight of 255.27 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(2,3-dihydro-1,4-dioxine-5-carbonyl)amino]acetic acid is sourced from PubChem (CID 60826600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).