(6S)-8-(2-amino-2-methylpropanoyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

C19H29N5O2 — CID 96579626

IUPAC(6S)-8-(2-amino-2-methylpropanoyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCc1cnc(CN2C[C@]3(CCCN(C(=O)C(C)(C)N)C3)CCC2=O)cn1
InChIInChI=1S/C19H29N5O2/c1-14-9-22-15(10-21-14)11-24-13-19(7-5-16(24)25)6-4-8-23(12-19)17(26)18(2,3)20/h9-10H,4-8,11-13,20H2,1-3H3/t19-/m1/s1
InChIKeyBGFGUDOTSZWONG-LJQANCHMSA-N
MW359.47 g/mol
LogP1.25
Rot. Bonds3

About (6S)-8-(2-amino-2-methylpropanoyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

(6S)-8-(2-amino-2-methylpropanoyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 96579626) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is (6S)-8-(2-amino-2-methylpropanoyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(6S)-8-(2-amino-2-methylpropanoyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID96579626
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name(6S)-8-(2-amino-2-methylpropanoyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCc1cnc(CN2C[C@]3(CCCN(C(=O)C(C)(C)N)C3)CCC2=O)cn1
InChIInChI=1S/C19H29N5O2/c1-14-9-22-15(10-21-14)11-24-13-19(7-5-16(24)25)6-4-8-23(12-19)17(26)18(2,3)20/h9-10H,4-8,11-13,20H2,1-3H3/t19-/m1/s1
InChIKeyBGFGUDOTSZWONG-LJQANCHMSA-N
XLogP1.25
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-methylpyrazin-2-yl)methyl]-8-(2-methylsulfanylacetyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72901535
N-ethyl-2-[(5-methylpyrazin-2-yl)methyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide
CID 70776193
(6R)-2-[(5-methylpyrazin-2-yl)methyl]-8-(2-propan-2-ylsulfanylacetyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97131397
(6R)-2-[(5-methylpyrazin-2-yl)methyl]-8-(2-methyl-1,3-thiazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97276892
2-[(5-methylpyrazin-2-yl)methyl]-8-(4-methylpyridine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72840383
(6S)-8-(2-methylfuran-3-carbonyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97151690
2-[(5-methylpyrazin-2-yl)methyl]-8-(2-pyridin-2-ylacetyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72886785
(6S)-2-[(5-methylpyrazin-2-yl)methyl]-8-(1-methylpyrrole-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97141105
(6S)-2-[(5-methylpyrazin-2-yl)methyl]-8-(6-oxo-1H-pyridine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97156961
(6R)-2-[(5-methylpyrazin-2-yl)methyl]-8-(2-oxo-1H-pyridine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97141575
8-(1,3-dihydroxypropan-2-yl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70778789
2-[(5-methylpyrazin-2-yl)methyl]-8-pent-2-ynyl-2,8-diazaspiro[5.5]undecan-3-one
CID 70767614

Frequently Asked Questions

What is the IUPAC name of (6S)-8-(2-amino-2-methylpropanoyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (6S)-8-(2-amino-2-methylpropanoyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one (CID 96579626) is (6S)-8-(2-amino-2-methylpropanoyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (6S)-8-(2-amino-2-methylpropanoyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (6S)-8-(2-amino-2-methylpropanoyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one is Cc1cnc(CN2C[C@]3(CCCN(C(=O)C(C)(C)N)C3)CCC2=O)cn1.
What is the InChIKey of (6S)-8-(2-amino-2-methylpropanoyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is BGFGUDOTSZWONG-LJQANCHMSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-14-9-22-15(10-21-14)11-24-13-19(7-5-16(24)25)6-4-8-23(12-19)17(26)18(2,3)20/h9-10H,4-8,11-13,20H2,1-3H3/t19-/m1/s1.
What are the key properties of (6S)-8-(2-amino-2-methylpropanoyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
(6S)-8-(2-amino-2-methylpropanoyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 359.47 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-8-(2-amino-2-methylpropanoyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 96579626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).