(3R)-4-(2-methoxybenzoyl)-8-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid

C19H26N2O5 — CID 95658374

IUPAC(3R)-4-(2-methoxybenzoyl)-8-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCCCN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccccc1OC
InChIInChI=1S/C19H26N2O5/c1-3-10-20-11-8-19(9-12-20)21(15(13-26-19)18(23)24)17(22)14-6-4-5-7-16(14)25-2/h4-7,15H,3,8-13H2,1-2H3,(H,23,24)/t15-/m1/s1
InChIKeyDNSXDYIHVUXYNW-OAHLLOKOSA-N
MW362.43 g/mol
LogP1.82
Rot. Bonds5

About (3R)-4-(2-methoxybenzoyl)-8-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid

(3R)-4-(2-methoxybenzoyl)-8-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 95658374) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is (3R)-4-(2-methoxybenzoyl)-8-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-4-(2-methoxybenzoyl)-8-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID95658374
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Name(3R)-4-(2-methoxybenzoyl)-8-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCCCN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccccc1OC
InChIInChI=1S/C19H26N2O5/c1-3-10-20-11-8-19(9-12-20)21(15(13-26-19)18(23)24)17(22)14-6-4-5-7-16(14)25-2/h4-7,15H,3,8-13H2,1-2H3,(H,23,24)/t15-/m1/s1
InChIKeyDNSXDYIHVUXYNW-OAHLLOKOSA-N
XLogP1.82
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-(2-methoxybenzoyl)-8-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of (3R)-4-(2-methoxybenzoyl)-8-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 95658374) is (3R)-4-(2-methoxybenzoyl)-8-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for (3R)-4-(2-methoxybenzoyl)-8-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for (3R)-4-(2-methoxybenzoyl)-8-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid is CCCN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccccc1OC.
What is the InChIKey of (3R)-4-(2-methoxybenzoyl)-8-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is DNSXDYIHVUXYNW-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-3-10-20-11-8-19(9-12-20)21(15(13-26-19)18(23)24)17(22)14-6-4-5-7-16(14)25-2/h4-7,15H,3,8-13H2,1-2H3,(H,23,24)/t15-/m1/s1.
What are the key properties of (3R)-4-(2-methoxybenzoyl)-8-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid?
(3R)-4-(2-methoxybenzoyl)-8-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 362.43 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(2-methoxybenzoyl)-8-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 95658374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).