2-[4-(indolizine-2-carbonylamino)oxan-4-yl]acetic acid

C16H18N2O4 — CID 99578301

IUPAC2-[4-(indolizine-2-carbonylamino)oxan-4-yl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2cc3ccccn3c2)CCOCC1
InChIInChI=1S/C16H18N2O4/c19-14(20)10-16(4-7-22-8-5-16)17-15(21)12-9-13-3-1-2-6-18(13)11-12/h1-3,6,9,11H,4-5,7-8,10H2,(H,17,21)(H,19,20)
InChIKeyPIHTVWWIRVAMCZ-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.69
Rot. Bonds4

About 2-[4-(indolizine-2-carbonylamino)oxan-4-yl]acetic acid

2-[4-(indolizine-2-carbonylamino)oxan-4-yl]acetic acid (PubChem CID 99578301) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-[4-(indolizine-2-carbonylamino)oxan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(indolizine-2-carbonylamino)oxan-4-yl]acetic acid
PubChem CID99578301
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name2-[4-(indolizine-2-carbonylamino)oxan-4-yl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2cc3ccccn3c2)CCOCC1
InChIInChI=1S/C16H18N2O4/c19-14(20)10-16(4-7-22-8-5-16)17-15(21)12-9-13-3-1-2-6-18(13)11-12/h1-3,6,9,11H,4-5,7-8,10H2,(H,17,21)(H,19,20)
InChIKeyPIHTVWWIRVAMCZ-UHFFFAOYSA-N
XLogP1.69
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(5-methyl-1H-imidazol-2-yl)oxan-4-yl]indolizine-2-carboxamide
CID 167875518
2-[4-[(3-nitrobenzoyl)amino]oxan-4-yl]acetic acid
CID 119214767
2-[4-[(1-methylindole-3-carbonyl)amino]oxan-4-yl]acetic acid
CID 119214944
2-[4-[(4-ethylbenzoyl)amino]oxan-4-yl]acetic acid
CID 119215520
2-[4-(1,3-benzodioxole-5-carbonylamino)oxan-4-yl]acetic acid
CID 119215665
2-[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]oxan-4-yl]acetic acid
CID 119214844
2-[4-[(3-fluoro-5-methylbenzoyl)amino]oxan-4-yl]acetic acid
CID 119215386
2-[4-[(4-methylsulfonylbenzoyl)amino]oxan-4-yl]acetic acid
CID 119214917
2-[4-[(3,4-diethoxybenzoyl)amino]oxan-4-yl]acetic acid
CID 119214727
2-[4-[(2-cyclopentylpyrazole-3-carbonyl)amino]oxan-4-yl]acetic acid
CID 120521611
2-[4-[(3-phenyl-1,2-thiazole-5-carbonyl)amino]oxan-4-yl]acetic acid
CID 138033265
2-[4-[(1,5-dimethylpyrrole-2-carbonyl)amino]oxan-4-yl]acetic acid
CID 99578340

Frequently Asked Questions

What is the IUPAC name of 2-[4-(indolizine-2-carbonylamino)oxan-4-yl]acetic acid?
The IUPAC name of 2-[4-(indolizine-2-carbonylamino)oxan-4-yl]acetic acid (CID 99578301) is 2-[4-(indolizine-2-carbonylamino)oxan-4-yl]acetic acid.
What is the SMILES notation for 2-[4-(indolizine-2-carbonylamino)oxan-4-yl]acetic acid?
The canonical SMILES for 2-[4-(indolizine-2-carbonylamino)oxan-4-yl]acetic acid is O=C(O)CC1(NC(=O)c2cc3ccccn3c2)CCOCC1.
What is the InChIKey of 2-[4-(indolizine-2-carbonylamino)oxan-4-yl]acetic acid?
The InChIKey is PIHTVWWIRVAMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c19-14(20)10-16(4-7-22-8-5-16)17-15(21)12-9-13-3-1-2-6-18(13)11-12/h1-3,6,9,11H,4-5,7-8,10H2,(H,17,21)(H,19,20).
What are the key properties of 2-[4-(indolizine-2-carbonylamino)oxan-4-yl]acetic acid?
2-[4-(indolizine-2-carbonylamino)oxan-4-yl]acetic acid has a molecular weight of 302.33 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(indolizine-2-carbonylamino)oxan-4-yl]acetic acid is sourced from PubChem (CID 99578301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).