2-[3-(5-fluoropyrimidin-2-yl)-1-oxa-9-azaspiro[4.5]decan-9-yl]acetic acid

C14H18FN3O3 — CID 134689498

IUPAC2-[3-(5-fluoropyrimidin-2-yl)-1-oxa-9-azaspiro[4.5]decan-9-yl]acetic acid
SMILESO=C(O)CN1CCCC2(CC(c3ncc(F)cn3)CO2)C1
InChIInChI=1S/C14H18FN3O3/c15-11-5-16-13(17-6-11)10-4-14(21-8-10)2-1-3-18(9-14)7-12(19)20/h5-6,10H,1-4,7-9H2,(H,19,20)
InChIKeyUXXDLYYDOWWCOE-UHFFFAOYSA-N
MW295.31 g/mol
LogP1.04
Rot. Bonds3

About 2-[3-(5-fluoropyrimidin-2-yl)-1-oxa-9-azaspiro[4.5]decan-9-yl]acetic acid

2-[3-(5-fluoropyrimidin-2-yl)-1-oxa-9-azaspiro[4.5]decan-9-yl]acetic acid (PubChem CID 134689498) has the molecular formula C14H18FN3O3 and a molecular weight of 295.31 g/mol. Its IUPAC name is 2-[3-(5-fluoropyrimidin-2-yl)-1-oxa-9-azaspiro[4.5]decan-9-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(5-fluoropyrimidin-2-yl)-1-oxa-9-azaspiro[4.5]decan-9-yl]acetic acid
PubChem CID134689498
Molecular FormulaC14H18FN3O3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC Name2-[3-(5-fluoropyrimidin-2-yl)-1-oxa-9-azaspiro[4.5]decan-9-yl]acetic acid
SMILESO=C(O)CN1CCCC2(CC(c3ncc(F)cn3)CO2)C1
InChIInChI=1S/C14H18FN3O3/c15-11-5-16-13(17-6-11)10-4-14(21-8-10)2-1-3-18(9-14)7-12(19)20/h5-6,10H,1-4,7-9H2,(H,19,20)
InChIKeyUXXDLYYDOWWCOE-UHFFFAOYSA-N
XLogP1.04
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3R,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]acetic acid
CID 97489729
2-[(3R,5S)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]acetic acid
CID 97489730
2-[(3S,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]acetic acid
CID 124521973
2-[(3S,5S)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]acetic acid
CID 124521974
2-[3-[(5-Fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]acetic acid
CID 131649705
8-(5-fluoropyrimidin-2-yl)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine;2,2,2-trifluoroacetic acid
CID 155827206
9-(cyclopropylmethyl)-N-(5-fluoropyrimidin-2-yl)-1-oxa-9-azaspiro[4.5]decan-3-amine;bis(2,2,2-trifluoroacetic acid)
CID 155831630
(4S,5R)-4-(ethoxymethyl)-9-(5-fluoropyrimidin-2-yl)-6-oxa-9-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 155834994
N-[[9-(cyclopropylmethyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]methyl]pyrimidin-2-amine;2,2,2-trifluoroacetic acid
CID 155838463
N-(5-fluoropyrimidin-2-yl)-9-(oxan-4-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-3-amine;bis(2,2,2-trifluoroacetic acid)
CID 155840988
(4R,5R)-4-(ethoxymethyl)-9-(5-fluoropyrimidin-2-yl)-6-oxa-9-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 155844773
(4R,5R)-9-(5-fluoropyrimidin-2-yl)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 155848407

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-fluoropyrimidin-2-yl)-1-oxa-9-azaspiro[4.5]decan-9-yl]acetic acid?
The IUPAC name of 2-[3-(5-fluoropyrimidin-2-yl)-1-oxa-9-azaspiro[4.5]decan-9-yl]acetic acid (CID 134689498) is 2-[3-(5-fluoropyrimidin-2-yl)-1-oxa-9-azaspiro[4.5]decan-9-yl]acetic acid.
What is the SMILES notation for 2-[3-(5-fluoropyrimidin-2-yl)-1-oxa-9-azaspiro[4.5]decan-9-yl]acetic acid?
The canonical SMILES for 2-[3-(5-fluoropyrimidin-2-yl)-1-oxa-9-azaspiro[4.5]decan-9-yl]acetic acid is O=C(O)CN1CCCC2(CC(c3ncc(F)cn3)CO2)C1.
What is the InChIKey of 2-[3-(5-fluoropyrimidin-2-yl)-1-oxa-9-azaspiro[4.5]decan-9-yl]acetic acid?
The InChIKey is UXXDLYYDOWWCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O3/c15-11-5-16-13(17-6-11)10-4-14(21-8-10)2-1-3-18(9-14)7-12(19)20/h5-6,10H,1-4,7-9H2,(H,19,20).
What are the key properties of 2-[3-(5-fluoropyrimidin-2-yl)-1-oxa-9-azaspiro[4.5]decan-9-yl]acetic acid?
2-[3-(5-fluoropyrimidin-2-yl)-1-oxa-9-azaspiro[4.5]decan-9-yl]acetic acid has a molecular weight of 295.31 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-fluoropyrimidin-2-yl)-1-oxa-9-azaspiro[4.5]decan-9-yl]acetic acid is sourced from PubChem (CID 134689498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).