(8S)-7-[(2S)-2-aminopropanoyl]-1,2-dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid

C10H16N2O5 — CID 88670271

IUPAC(8S)-7-[(2S)-2-aminopropanoyl]-1,2-dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid
SMILESC[C@H](N)C(=O)N1CC2(CCOO2)C[C@H]1C(=O)O
InChIInChI=1S/C10H16N2O5/c1-6(11)8(13)12-5-10(2-3-16-17-10)4-7(12)9(14)15/h6-7H,2-5,11H2,1H3,(H,14,15)/t6-,7-,10?/m0/s1
InChIKeyXXWVOSCGGQNLAW-CKZABAASSA-N
MW244.25 g/mol
LogP-0.89
Rot. Bonds2

About (8S)-7-[(2S)-2-aminopropanoyl]-1,2-dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid

(8S)-7-[(2S)-2-aminopropanoyl]-1,2-dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid (PubChem CID 88670271) has the molecular formula C10H16N2O5 and a molecular weight of 244.25 g/mol. Its IUPAC name is (8S)-7-[(2S)-2-aminopropanoyl]-1,2-dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid.

Molecular Properties

Compound Name(8S)-7-[(2S)-2-aminopropanoyl]-1,2-dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid
PubChem CID88670271
Molecular FormulaC10H16N2O5
Molecular Weight244.25 g/mol
Exact Mass244.11
IUPAC Name(8S)-7-[(2S)-2-aminopropanoyl]-1,2-dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid
SMILESC[C@H](N)C(=O)N1CC2(CCOO2)C[C@H]1C(=O)O
InChIInChI=1S/C10H16N2O5/c1-6(11)8(13)12-5-10(2-3-16-17-10)4-7(12)9(14)15/h6-7H,2-5,11H2,1H3,(H,14,15)/t6-,7-,10?/m0/s1
InChIKeyXXWVOSCGGQNLAW-CKZABAASSA-N
XLogP-0.89
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

1,2-Dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid
CID 87944851
(8S)-7-(4-methoxy-2-methyl-4-oxobutanoyl)-1,2-dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid
CID 88753146
(8S)-7-[2-(methoxycarbonylamino)-3-methylbutanoyl]-1-oxa-7-azaspiro[4.4]nonane-8-carboxylic acid
CID 144176223
(2S,4R)-1-(1-aminocyclopentanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 55259397
1-(1-Aminocyclopentanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 61157310
1-(1-Aminocyclopentanecarbonyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 61159247
(2S)-1-(1-aminocyclopentanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 61162123
(2S)-1-(6-amino-4-ethylhexanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64342501
(2S,4R)-1-(6-amino-4-ethylhexanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64343699
1-(6-Amino-4-ethylhexanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64344651
1-(6-Amino-4-methylhexanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64348349
(2S)-1-(6-amino-4-methylhexanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64349946

Frequently Asked Questions

What is the IUPAC name of (8S)-7-[(2S)-2-aminopropanoyl]-1,2-dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid?
The IUPAC name of (8S)-7-[(2S)-2-aminopropanoyl]-1,2-dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid (CID 88670271) is (8S)-7-[(2S)-2-aminopropanoyl]-1,2-dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid.
What is the SMILES notation for (8S)-7-[(2S)-2-aminopropanoyl]-1,2-dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid?
The canonical SMILES for (8S)-7-[(2S)-2-aminopropanoyl]-1,2-dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid is C[C@H](N)C(=O)N1CC2(CCOO2)C[C@H]1C(=O)O.
What is the InChIKey of (8S)-7-[(2S)-2-aminopropanoyl]-1,2-dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid?
The InChIKey is XXWVOSCGGQNLAW-CKZABAASSA-N. The full InChI is InChI=1S/C10H16N2O5/c1-6(11)8(13)12-5-10(2-3-16-17-10)4-7(12)9(14)15/h6-7H,2-5,11H2,1H3,(H,14,15)/t6-,7-,10?/m0/s1.
What are the key properties of (8S)-7-[(2S)-2-aminopropanoyl]-1,2-dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid?
(8S)-7-[(2S)-2-aminopropanoyl]-1,2-dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid has a molecular weight of 244.25 g/mol, XLogP of -0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-7-[(2S)-2-aminopropanoyl]-1,2-dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid is sourced from PubChem (CID 88670271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).