(3S)-8-(3-hydroxypyridine-2-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C18H25N3O4 — CID 95880584

IUPAC(3S)-8-(3-hydroxypyridine-2-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCCCN1CC2(CCN(C(=O)c3ncccc3O)CC2)C[C@H]1C(=O)O
InChIInChI=1S/C18H25N3O4/c1-2-8-21-12-18(11-13(21)17(24)25)5-9-20(10-6-18)16(23)15-14(22)4-3-7-19-15/h3-4,7,13,22H,2,5-6,8-12H2,1H3,(H,24,25)/t13-/m0/s1
InChIKeyAZNFLAVZLZTQFS-ZDUSSCGKSA-N
MW347.42 g/mol
LogP1.58
Rot. Bonds4

About (3S)-8-(3-hydroxypyridine-2-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid

(3S)-8-(3-hydroxypyridine-2-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 95880584) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is (3S)-8-(3-hydroxypyridine-2-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-8-(3-hydroxypyridine-2-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID95880584
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name(3S)-8-(3-hydroxypyridine-2-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCCCN1CC2(CCN(C(=O)c3ncccc3O)CC2)C[C@H]1C(=O)O
InChIInChI=1S/C18H25N3O4/c1-2-8-21-12-18(11-13(21)17(24)25)5-9-20(10-6-18)16(23)15-14(22)4-3-7-19-15/h3-4,7,13,22H,2,5-6,8-12H2,1H3,(H,24,25)/t13-/m0/s1
InChIKeyAZNFLAVZLZTQFS-ZDUSSCGKSA-N
XLogP1.58
TPSA93.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-2-propyl-8-(1H-pyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95897333
(3S)-8-(3-hydroxybenzoyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95861164
8-(2-methylpyrimidine-5-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56903968
8-(3-carbamoyl-2-pyridinyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56884605
8-(1-methylpyrazole-3-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 70725662
(3S)-8-(3-methylpyrazin-2-yl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95870202
[(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 97155661
(3S)-2-propyl-8-(5-propyl-1H-pyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95893616
8-[2-(4-hydroxyphenyl)acetyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 70711706
(3S)-8-[2-(4-hydroxyphenyl)acetyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95869094
(3R)-8-acetyl-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95875140
(4-ethyl-4-methylpiperidin-1-yl)-(3-hydroxy-2-pyridinyl)methanone
CID 55139224

Frequently Asked Questions

What is the IUPAC name of (3S)-8-(3-hydroxypyridine-2-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of (3S)-8-(3-hydroxypyridine-2-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 95880584) is (3S)-8-(3-hydroxypyridine-2-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for (3S)-8-(3-hydroxypyridine-2-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for (3S)-8-(3-hydroxypyridine-2-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid is CCCN1CC2(CCN(C(=O)c3ncccc3O)CC2)C[C@H]1C(=O)O.
What is the InChIKey of (3S)-8-(3-hydroxypyridine-2-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is AZNFLAVZLZTQFS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-2-8-21-12-18(11-13(21)17(24)25)5-9-20(10-6-18)16(23)15-14(22)4-3-7-19-15/h3-4,7,13,22H,2,5-6,8-12H2,1H3,(H,24,25)/t13-/m0/s1.
What are the key properties of (3S)-8-(3-hydroxypyridine-2-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
(3S)-8-(3-hydroxypyridine-2-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 347.42 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-8-(3-hydroxypyridine-2-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 95880584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).