2-(3-carboxy-2-propyl-2,8-diazaspiro[4.5]decan-8-yl)-1,3-oxazole-4-carboxylic acid

C16H23N3O5 — CID 56910450

IUPAC2-(3-carboxy-2-propyl-2,8-diazaspiro[4.5]decan-8-yl)-1,3-oxazole-4-carboxylic acid
SMILESCCCN1CC2(CCN(c3nc(C(=O)O)co3)CC2)CC1C(=O)O
InChIInChI=1S/C16H23N3O5/c1-2-5-19-10-16(8-12(19)14(22)23)3-6-18(7-4-16)15-17-11(9-24-15)13(20)21/h9,12H,2-8,10H2,1H3,(H,20,21)(H,22,23)
InChIKeyFJURCTRZLZUVLP-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.53
Rot. Bonds5

About 2-(3-carboxy-2-propyl-2,8-diazaspiro[4.5]decan-8-yl)-1,3-oxazole-4-carboxylic acid

2-(3-carboxy-2-propyl-2,8-diazaspiro[4.5]decan-8-yl)-1,3-oxazole-4-carboxylic acid (PubChem CID 56910450) has the molecular formula C16H23N3O5 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-(3-carboxy-2-propyl-2,8-diazaspiro[4.5]decan-8-yl)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-carboxy-2-propyl-2,8-diazaspiro[4.5]decan-8-yl)-1,3-oxazole-4-carboxylic acid
PubChem CID56910450
Molecular FormulaC16H23N3O5
Molecular Weight337.38 g/mol
Exact Mass337.16
IUPAC Name2-(3-carboxy-2-propyl-2,8-diazaspiro[4.5]decan-8-yl)-1,3-oxazole-4-carboxylic acid
SMILESCCCN1CC2(CCN(c3nc(C(=O)O)co3)CC2)CC1C(=O)O
InChIInChI=1S/C16H23N3O5/c1-2-5-19-10-16(8-12(19)14(22)23)3-6-18(7-4-16)15-17-11(9-24-15)13(20)21/h9,12H,2-8,10H2,1H3,(H,20,21)(H,22,23)
InChIKeyFJURCTRZLZUVLP-UHFFFAOYSA-N
XLogP1.53
TPSA107.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-carboxy-2-propyl-2,8-diazaspiro[4.5]decan-8-yl)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(3-carboxy-2-propyl-2,8-diazaspiro[4.5]decan-8-yl)-1,3-oxazole-4-carboxylic acid (CID 56910450) is 2-(3-carboxy-2-propyl-2,8-diazaspiro[4.5]decan-8-yl)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(3-carboxy-2-propyl-2,8-diazaspiro[4.5]decan-8-yl)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(3-carboxy-2-propyl-2,8-diazaspiro[4.5]decan-8-yl)-1,3-oxazole-4-carboxylic acid is CCCN1CC2(CCN(c3nc(C(=O)O)co3)CC2)CC1C(=O)O.
What is the InChIKey of 2-(3-carboxy-2-propyl-2,8-diazaspiro[4.5]decan-8-yl)-1,3-oxazole-4-carboxylic acid?
The InChIKey is FJURCTRZLZUVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O5/c1-2-5-19-10-16(8-12(19)14(22)23)3-6-18(7-4-16)15-17-11(9-24-15)13(20)21/h9,12H,2-8,10H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 2-(3-carboxy-2-propyl-2,8-diazaspiro[4.5]decan-8-yl)-1,3-oxazole-4-carboxylic acid?
2-(3-carboxy-2-propyl-2,8-diazaspiro[4.5]decan-8-yl)-1,3-oxazole-4-carboxylic acid has a molecular weight of 337.38 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-carboxy-2-propyl-2,8-diazaspiro[4.5]decan-8-yl)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 56910450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).