(3S)-2-(cyclopropanecarbonyl)-8-(2-oxo-1H-pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C19H23N3O5 — CID 95871679

IUPAC(3S)-2-(cyclopropanecarbonyl)-8-(2-oxo-1H-pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESO=C(O)[C@@H]1CC2(CCN(C(=O)c3ccc[nH]c3=O)CC2)CN1C(=O)C1CC1
InChIInChI=1S/C19H23N3O5/c23-15-13(2-1-7-20-15)17(25)21-8-5-19(6-9-21)10-14(18(26)27)22(11-19)16(24)12-3-4-12/h1-2,7,12,14H,3-6,8-11H2,(H,20,23)(H,26,27)/t14-/m0/s1
InChIKeySPUYPLJUVMJRDU-AWEZNQCLSA-N
MW373.41 g/mol
LogP0.69
Rot. Bonds3

About (3S)-2-(cyclopropanecarbonyl)-8-(2-oxo-1H-pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

(3S)-2-(cyclopropanecarbonyl)-8-(2-oxo-1H-pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 95871679) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is (3S)-2-(cyclopropanecarbonyl)-8-(2-oxo-1H-pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-2-(cyclopropanecarbonyl)-8-(2-oxo-1H-pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID95871679
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC Name(3S)-2-(cyclopropanecarbonyl)-8-(2-oxo-1H-pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESO=C(O)[C@@H]1CC2(CCN(C(=O)c3ccc[nH]c3=O)CC2)CN1C(=O)C1CC1
InChIInChI=1S/C19H23N3O5/c23-15-13(2-1-7-20-15)17(25)21-8-5-19(6-9-21)10-14(18(26)27)22(11-19)16(24)12-3-4-12/h1-2,7,12,14H,3-6,8-11H2,(H,20,23)(H,26,27)/t14-/m0/s1
InChIKeySPUYPLJUVMJRDU-AWEZNQCLSA-N
XLogP0.69
TPSA110.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-2-(cyclopropanecarbonyl)-8-(2-oxo-1H-pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of (3S)-2-(cyclopropanecarbonyl)-8-(2-oxo-1H-pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 95871679) is (3S)-2-(cyclopropanecarbonyl)-8-(2-oxo-1H-pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for (3S)-2-(cyclopropanecarbonyl)-8-(2-oxo-1H-pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for (3S)-2-(cyclopropanecarbonyl)-8-(2-oxo-1H-pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is O=C(O)[C@@H]1CC2(CCN(C(=O)c3ccc[nH]c3=O)CC2)CN1C(=O)C1CC1.
What is the InChIKey of (3S)-2-(cyclopropanecarbonyl)-8-(2-oxo-1H-pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is SPUYPLJUVMJRDU-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23N3O5/c23-15-13(2-1-7-20-15)17(25)21-8-5-19(6-9-21)10-14(18(26)27)22(11-19)16(24)12-3-4-12/h1-2,7,12,14H,3-6,8-11H2,(H,20,23)(H,26,27)/t14-/m0/s1.
What are the key properties of (3S)-2-(cyclopropanecarbonyl)-8-(2-oxo-1H-pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
(3S)-2-(cyclopropanecarbonyl)-8-(2-oxo-1H-pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 373.41 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-(cyclopropanecarbonyl)-8-(2-oxo-1H-pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 95871679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).