(4S)-7-[(2S)-2-aminopropanoyl]-1,7-diazaspiro[3.4]octan-2-one

C9H15N3O2 — CID 97175419

IUPAC(4S)-7-[(2S)-2-aminopropanoyl]-1,7-diazaspiro[3.4]octan-2-one
SMILESC[C@H](N)C(=O)N1CC[C@]2(CC(=O)N2)C1
InChIInChI=1S/C9H15N3O2/c1-6(10)8(14)12-3-2-9(5-12)4-7(13)11-9/h6H,2-5,10H2,1H3,(H,11,13)/t6-,9-/m0/s1
InChIKeyIZXIOIQEOAZCLU-RCOVLWMOSA-N
MW197.24 g/mol
LogP-1.18
Rot. Bonds1

About (4S)-7-[(2S)-2-aminopropanoyl]-1,7-diazaspiro[3.4]octan-2-one

(4S)-7-[(2S)-2-aminopropanoyl]-1,7-diazaspiro[3.4]octan-2-one (PubChem CID 97175419) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is (4S)-7-[(2S)-2-aminopropanoyl]-1,7-diazaspiro[3.4]octan-2-one.

Molecular Properties

Compound Name(4S)-7-[(2S)-2-aminopropanoyl]-1,7-diazaspiro[3.4]octan-2-one
PubChem CID97175419
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name(4S)-7-[(2S)-2-aminopropanoyl]-1,7-diazaspiro[3.4]octan-2-one
SMILESC[C@H](N)C(=O)N1CC[C@]2(CC(=O)N2)C1
InChIInChI=1S/C9H15N3O2/c1-6(10)8(14)12-3-2-9(5-12)4-7(13)11-9/h6H,2-5,10H2,1H3,(H,11,13)/t6-,9-/m0/s1
InChIKeyIZXIOIQEOAZCLU-RCOVLWMOSA-N
XLogP-1.18
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4S)-7-[(2S)-2-aminopropanoyl]-1,7-diazaspiro[3.4]octan-2-one with MolForge

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Related Compounds

(4S)-7-propan-2-yl-1,7-diazaspiro[3.4]octan-2-one
CID 97174895
(4S)-7-(2-chloroacetyl)-1,7-diazaspiro[3.4]octan-2-one
CID 97166637
2-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one
CID 103355859
4-(2-aminopropanoyl)piperazine-2,6-dione
CID 66084211
(2R)-2-amino-1-(2-azaspiro[4.4]nonan-2-yl)propan-1-one
CID 130163238
benzyl (4R)-2-oxo-1,7-diazaspiro[3.4]octane-7-carboxylate
CID 97169065
benzyl 2-oxo-1,7-diazaspiro[3.4]octane-7-carboxylate
CID 71649492
(2S)-2-amino-1-(2,7-diazaspiro[4.4]nonan-2-yl)propan-1-one;hydrochloride
CID 130927327
1-(2-aminopropanoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318154
tert-butyl 2-oxo-1,7-diazaspiro[4.4]nonane-7-carboxylate
CID 56973607
(2R)-2-amino-1-(2-azaspiro[5.6]dodecan-2-yl)propan-1-one;hydrochloride
CID 119338501
1-[(2S)-2-aminopropanoyl]-1,4-diazepan-5-one
CID 78919914

Frequently Asked Questions

What is the IUPAC name of (4S)-7-[(2S)-2-aminopropanoyl]-1,7-diazaspiro[3.4]octan-2-one?
The IUPAC name of (4S)-7-[(2S)-2-aminopropanoyl]-1,7-diazaspiro[3.4]octan-2-one (CID 97175419) is (4S)-7-[(2S)-2-aminopropanoyl]-1,7-diazaspiro[3.4]octan-2-one.
What is the SMILES notation for (4S)-7-[(2S)-2-aminopropanoyl]-1,7-diazaspiro[3.4]octan-2-one?
The canonical SMILES for (4S)-7-[(2S)-2-aminopropanoyl]-1,7-diazaspiro[3.4]octan-2-one is C[C@H](N)C(=O)N1CC[C@]2(CC(=O)N2)C1.
What is the InChIKey of (4S)-7-[(2S)-2-aminopropanoyl]-1,7-diazaspiro[3.4]octan-2-one?
The InChIKey is IZXIOIQEOAZCLU-RCOVLWMOSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-6(10)8(14)12-3-2-9(5-12)4-7(13)11-9/h6H,2-5,10H2,1H3,(H,11,13)/t6-,9-/m0/s1.
What are the key properties of (4S)-7-[(2S)-2-aminopropanoyl]-1,7-diazaspiro[3.4]octan-2-one?
(4S)-7-[(2S)-2-aminopropanoyl]-1,7-diazaspiro[3.4]octan-2-one has a molecular weight of 197.24 g/mol, XLogP of -1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7-[(2S)-2-aminopropanoyl]-1,7-diazaspiro[3.4]octan-2-one is sourced from PubChem (CID 97175419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).