(2S)-2-amino-1-(2,7-diazaspiro[4.4]nonan-2-yl)propan-1-one;hydrochloride

C10H20ClN3O — CID 130927327

IUPAC(2S)-2-amino-1-(2,7-diazaspiro[4.4]nonan-2-yl)propan-1-one;hydrochloride
SMILESC[C@H](N)C(=O)N1CCC2(CCNC2)C1.Cl
InChIInChI=1S/C10H19N3O.ClH/c1-8(11)9(14)13-5-3-10(7-13)2-4-12-6-10;/h8,12H,2-7,11H2,1H3;1H/t8-,10?;/m0./s1
InChIKeyNAJFQNAVVZRECP-ISRZGASSSA-N
MW233.74 g/mol
LogP-0.03
Rot. Bonds1

About (2S)-2-amino-1-(2,7-diazaspiro[4.4]nonan-2-yl)propan-1-one;hydrochloride

(2S)-2-amino-1-(2,7-diazaspiro[4.4]nonan-2-yl)propan-1-one;hydrochloride (PubChem CID 130927327) has the molecular formula C10H20ClN3O and a molecular weight of 233.74 g/mol. Its IUPAC name is (2S)-2-amino-1-(2,7-diazaspiro[4.4]nonan-2-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-1-(2,7-diazaspiro[4.4]nonan-2-yl)propan-1-one;hydrochloride
PubChem CID130927327
Molecular FormulaC10H20ClN3O
Molecular Weight233.74 g/mol
Exact Mass233.13
IUPAC Name(2S)-2-amino-1-(2,7-diazaspiro[4.4]nonan-2-yl)propan-1-one;hydrochloride
SMILESC[C@H](N)C(=O)N1CCC2(CCNC2)C1.Cl
InChIInChI=1S/C10H19N3O.ClH/c1-8(11)9(14)13-5-3-10(7-13)2-4-12-6-10;/h8,12H,2-7,11H2,1H3;1H/t8-,10?;/m0./s1
InChIKeyNAJFQNAVVZRECP-ISRZGASSSA-N
XLogP-0.03
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(2,7-diazaspiro[4.4]nonan-2-yl)propan-1-one;hydrochloride?
The IUPAC name of (2S)-2-amino-1-(2,7-diazaspiro[4.4]nonan-2-yl)propan-1-one;hydrochloride (CID 130927327) is (2S)-2-amino-1-(2,7-diazaspiro[4.4]nonan-2-yl)propan-1-one;hydrochloride.
What is the SMILES notation for (2S)-2-amino-1-(2,7-diazaspiro[4.4]nonan-2-yl)propan-1-one;hydrochloride?
The canonical SMILES for (2S)-2-amino-1-(2,7-diazaspiro[4.4]nonan-2-yl)propan-1-one;hydrochloride is C[C@H](N)C(=O)N1CCC2(CCNC2)C1.Cl.
What is the InChIKey of (2S)-2-amino-1-(2,7-diazaspiro[4.4]nonan-2-yl)propan-1-one;hydrochloride?
The InChIKey is NAJFQNAVVZRECP-ISRZGASSSA-N. The full InChI is InChI=1S/C10H19N3O.ClH/c1-8(11)9(14)13-5-3-10(7-13)2-4-12-6-10;/h8,12H,2-7,11H2,1H3;1H/t8-,10?;/m0./s1.
What are the key properties of (2S)-2-amino-1-(2,7-diazaspiro[4.4]nonan-2-yl)propan-1-one;hydrochloride?
(2S)-2-amino-1-(2,7-diazaspiro[4.4]nonan-2-yl)propan-1-one;hydrochloride has a molecular weight of 233.74 g/mol, XLogP of -0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(2,7-diazaspiro[4.4]nonan-2-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 130927327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).