2-amino-3-[8-(2,2-dimethylpropanoyl)-2-oxo-1,8-diazaspiro[4.5]decan-3-yl]-2-methylpropanoic acid;hydrochloride

C17H30ClN3O4 — CID 168861115

IUPAC2-amino-3-[8-(2,2-dimethylpropanoyl)-2-oxo-1,8-diazaspiro[4.5]decan-3-yl]-2-methylpropanoic acid;hydrochloride
SMILESCC(C)(C)C(=O)N1CCC2(CC1)CC(CC(C)(N)C(=O)O)C(=O)N2.Cl
InChIInChI=1S/C17H29N3O4.ClH/c1-15(2,3)13(22)20-7-5-17(6-8-20)10-11(12(21)19-17)9-16(4,18)14(23)24;/h11H,5-10,18H2,1-4H3,(H,19,21)(H,23,24);1H
InChIKeyNEWPOISMADGCQF-UHFFFAOYSA-N
MW375.90 g/mol
LogP1.14
Rot. Bonds3

About 2-amino-3-[8-(2,2-dimethylpropanoyl)-2-oxo-1,8-diazaspiro[4.5]decan-3-yl]-2-methylpropanoic acid;hydrochloride

2-amino-3-[8-(2,2-dimethylpropanoyl)-2-oxo-1,8-diazaspiro[4.5]decan-3-yl]-2-methylpropanoic acid;hydrochloride (PubChem CID 168861115) has the molecular formula C17H30ClN3O4 and a molecular weight of 375.90 g/mol. Its IUPAC name is 2-amino-3-[8-(2,2-dimethylpropanoyl)-2-oxo-1,8-diazaspiro[4.5]decan-3-yl]-2-methylpropanoic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-3-[8-(2,2-dimethylpropanoyl)-2-oxo-1,8-diazaspiro[4.5]decan-3-yl]-2-methylpropanoic acid;hydrochloride
PubChem CID168861115
Molecular FormulaC17H30ClN3O4
Molecular Weight375.90 g/mol
Exact Mass375.19
IUPAC Name2-amino-3-[8-(2,2-dimethylpropanoyl)-2-oxo-1,8-diazaspiro[4.5]decan-3-yl]-2-methylpropanoic acid;hydrochloride
SMILESCC(C)(C)C(=O)N1CCC2(CC1)CC(CC(C)(N)C(=O)O)C(=O)N2.Cl
InChIInChI=1S/C17H29N3O4.ClH/c1-15(2,3)13(22)20-7-5-17(6-8-20)10-11(12(21)19-17)9-16(4,18)14(23)24;/h11H,5-10,18H2,1-4H3,(H,19,21)(H,23,24);1H
InChIKeyNEWPOISMADGCQF-UHFFFAOYSA-N
XLogP1.14
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-methyl-3-(8-methylsulfonyl-2-oxo-1,8-diazaspiro[4.5]decan-3-yl)propanoic acid
CID 168861043
methyl 3-[8-(2,2-dimethylpropanoyl)-2-oxo-1,8-diazaspiro[4.5]decan-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 168753686
(3-chlorophenyl)methyl N-[(2S)-3-cyclohexyl-1-[[1-[8-(2,2-dimethylpropanoyl)-2-oxo-1,8-diazaspiro[4.5]decan-3-yl]-3-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 156884012
[(2S)-3-cyclohexyl-1-[[(2S)-1-[(3S)-8-(2,2-dimethylpropanoyl)-2-oxo-1,8-diazaspiro[4.5]decan-3-yl]-3-hydroxypropan-2-yl]amino]-1-oxopropan-2-yl] N-[2-[(3-chlorophenyl)methyl]cyclopentyl]carbamate
CID 156884539
1-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride
CID 119281311
2-amino-2-methyl-3-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)propanoic acid
CID 59107032
methyl 2-amino-3-(2-oxo-8-oxa-1-azaspiro[4.5]decan-3-yl)propanoate;hydrochloride
CID 156884095
8-(2-amino-2-ethylbutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 79814900
(3R)-8-(2-methylsulfanylacetyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97210266
8-(2,2-dimethylpropanoyl)-3-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 27397403
2-amino-2-ethyl-1-(4-hydroxy-4-methylpiperidin-1-yl)butan-1-one
CID 81103514
1-[2-(3,3-dimethylbutyl)-7-azaspiro[3.5]nonan-7-yl]-2,2-dimethylpropan-1-one
CID 168854257

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[8-(2,2-dimethylpropanoyl)-2-oxo-1,8-diazaspiro[4.5]decan-3-yl]-2-methylpropanoic acid;hydrochloride?
The IUPAC name of 2-amino-3-[8-(2,2-dimethylpropanoyl)-2-oxo-1,8-diazaspiro[4.5]decan-3-yl]-2-methylpropanoic acid;hydrochloride (CID 168861115) is 2-amino-3-[8-(2,2-dimethylpropanoyl)-2-oxo-1,8-diazaspiro[4.5]decan-3-yl]-2-methylpropanoic acid;hydrochloride.
What is the SMILES notation for 2-amino-3-[8-(2,2-dimethylpropanoyl)-2-oxo-1,8-diazaspiro[4.5]decan-3-yl]-2-methylpropanoic acid;hydrochloride?
The canonical SMILES for 2-amino-3-[8-(2,2-dimethylpropanoyl)-2-oxo-1,8-diazaspiro[4.5]decan-3-yl]-2-methylpropanoic acid;hydrochloride is CC(C)(C)C(=O)N1CCC2(CC1)CC(CC(C)(N)C(=O)O)C(=O)N2.Cl.
What is the InChIKey of 2-amino-3-[8-(2,2-dimethylpropanoyl)-2-oxo-1,8-diazaspiro[4.5]decan-3-yl]-2-methylpropanoic acid;hydrochloride?
The InChIKey is NEWPOISMADGCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O4.ClH/c1-15(2,3)13(22)20-7-5-17(6-8-20)10-11(12(21)19-17)9-16(4,18)14(23)24;/h11H,5-10,18H2,1-4H3,(H,19,21)(H,23,24);1H.
What are the key properties of 2-amino-3-[8-(2,2-dimethylpropanoyl)-2-oxo-1,8-diazaspiro[4.5]decan-3-yl]-2-methylpropanoic acid;hydrochloride?
2-amino-3-[8-(2,2-dimethylpropanoyl)-2-oxo-1,8-diazaspiro[4.5]decan-3-yl]-2-methylpropanoic acid;hydrochloride has a molecular weight of 375.90 g/mol, XLogP of 1.14, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[8-(2,2-dimethylpropanoyl)-2-oxo-1,8-diazaspiro[4.5]decan-3-yl]-2-methylpropanoic acid;hydrochloride is sourced from PubChem (CID 168861115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).