2-(2-azaspiro[4.4]nonane-2-carbonylamino)-3-hydroxypropanoic acid

C12H20N2O4 — CID 114279424

IUPAC2-(2-azaspiro[4.4]nonane-2-carbonylamino)-3-hydroxypropanoic acid
SMILESO=C(O)C(CO)NC(=O)N1CCC2(CCCC2)C1
InChIInChI=1S/C12H20N2O4/c15-7-9(10(16)17)13-11(18)14-6-5-12(8-14)3-1-2-4-12/h9,15H,1-8H2,(H,13,18)(H,16,17)
InChIKeyFCROFAIYPJKZDA-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.41
Rot. Bonds3

About 2-(2-azaspiro[4.4]nonane-2-carbonylamino)-3-hydroxypropanoic acid

2-(2-azaspiro[4.4]nonane-2-carbonylamino)-3-hydroxypropanoic acid (PubChem CID 114279424) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-(2-azaspiro[4.4]nonane-2-carbonylamino)-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-(2-azaspiro[4.4]nonane-2-carbonylamino)-3-hydroxypropanoic acid
PubChem CID114279424
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-(2-azaspiro[4.4]nonane-2-carbonylamino)-3-hydroxypropanoic acid
SMILESO=C(O)C(CO)NC(=O)N1CCC2(CCCC2)C1
InChIInChI=1S/C12H20N2O4/c15-7-9(10(16)17)13-11(18)14-6-5-12(8-14)3-1-2-4-12/h9,15H,1-8H2,(H,13,18)(H,16,17)
InChIKeyFCROFAIYPJKZDA-UHFFFAOYSA-N
XLogP0.41
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 81115681
(2S)-3-hydroxy-2-[[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]propanoic acid
CID 106320575
(2R)-2-(8-azaspiro[4.5]decane-8-carbonylamino)-4-methylsulfanylbutanoic acid
CID 104910293
(2S)-2-[(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinoline-2-carbonyl)amino]-3-hydroxypropanoic acid
CID 81115363
(2S)-2-[(4-acetyl-1,4-diazepane-1-carbonyl)amino]-3-hydroxypropanoic acid
CID 55003085
(2R)-2-[(1-aminocyclopentanecarbonyl)amino]-3-hydroxypropanoic acid
CID 80750294
(2S)-2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)-3-hydroxypropanoic acid
CID 115560817
(2R)-3-hydroxy-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 80750387
3-hydroxy-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 61188214
3-hydroxy-2-[(3-hydroxypiperidine-1-carbonyl)amino]propanoic acid
CID 61439141
N-(1-sulfanylethyl)-5-azaspiro[2.4]heptane-5-carboxamide
CID 130306506
N-[(1S)-1-fluoroethyl]-5-azaspiro[2.4]heptane-5-carboxamide
CID 170193846

Frequently Asked Questions

What is the IUPAC name of 2-(2-azaspiro[4.4]nonane-2-carbonylamino)-3-hydroxypropanoic acid?
The IUPAC name of 2-(2-azaspiro[4.4]nonane-2-carbonylamino)-3-hydroxypropanoic acid (CID 114279424) is 2-(2-azaspiro[4.4]nonane-2-carbonylamino)-3-hydroxypropanoic acid.
What is the SMILES notation for 2-(2-azaspiro[4.4]nonane-2-carbonylamino)-3-hydroxypropanoic acid?
The canonical SMILES for 2-(2-azaspiro[4.4]nonane-2-carbonylamino)-3-hydroxypropanoic acid is O=C(O)C(CO)NC(=O)N1CCC2(CCCC2)C1.
What is the InChIKey of 2-(2-azaspiro[4.4]nonane-2-carbonylamino)-3-hydroxypropanoic acid?
The InChIKey is FCROFAIYPJKZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c15-7-9(10(16)17)13-11(18)14-6-5-12(8-14)3-1-2-4-12/h9,15H,1-8H2,(H,13,18)(H,16,17).
What are the key properties of 2-(2-azaspiro[4.4]nonane-2-carbonylamino)-3-hydroxypropanoic acid?
2-(2-azaspiro[4.4]nonane-2-carbonylamino)-3-hydroxypropanoic acid has a molecular weight of 256.30 g/mol, XLogP of 0.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azaspiro[4.4]nonane-2-carbonylamino)-3-hydroxypropanoic acid is sourced from PubChem (CID 114279424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).