methyl 2-amino-3-(2-oxo-8-oxa-1-azaspiro[4.5]decan-3-yl)propanoate;hydrochloride

C12H21ClN2O4 — CID 156884095

IUPACmethyl 2-amino-3-(2-oxo-8-oxa-1-azaspiro[4.5]decan-3-yl)propanoate;hydrochloride
SMILESCOC(=O)C(N)CC1CC2(CCOCC2)NC1=O.Cl
InChIInChI=1S/C12H20N2O4.ClH/c1-17-11(16)9(13)6-8-7-12(14-10(8)15)2-4-18-5-3-12;/h8-9H,2-7,13H2,1H3,(H,14,15);1H
InChIKeyGVKIDZXQSWIPAX-UHFFFAOYSA-N
MW292.76 g/mol
LogP-0.02
Rot. Bonds3

About methyl 2-amino-3-(2-oxo-8-oxa-1-azaspiro[4.5]decan-3-yl)propanoate;hydrochloride

methyl 2-amino-3-(2-oxo-8-oxa-1-azaspiro[4.5]decan-3-yl)propanoate;hydrochloride (PubChem CID 156884095) has the molecular formula C12H21ClN2O4 and a molecular weight of 292.76 g/mol. Its IUPAC name is methyl 2-amino-3-(2-oxo-8-oxa-1-azaspiro[4.5]decan-3-yl)propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-amino-3-(2-oxo-8-oxa-1-azaspiro[4.5]decan-3-yl)propanoate;hydrochloride
PubChem CID156884095
Molecular FormulaC12H21ClN2O4
Molecular Weight292.76 g/mol
Exact Mass292.12
IUPAC Namemethyl 2-amino-3-(2-oxo-8-oxa-1-azaspiro[4.5]decan-3-yl)propanoate;hydrochloride
SMILESCOC(=O)C(N)CC1CC2(CCOCC2)NC1=O.Cl
InChIInChI=1S/C12H20N2O4.ClH/c1-17-11(16)9(13)6-8-7-12(14-10(8)15)2-4-18-5-3-12;/h8-9H,2-7,13H2,1H3,(H,14,15);1H
InChIKeyGVKIDZXQSWIPAX-UHFFFAOYSA-N
XLogP-0.02
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.76
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-amino-3-(2-oxo-8-oxa-1-azaspiro[4.5]decan-3-yl)propanoate;hydrochloride with MolForge

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Related Compounds

methyl (2S)-2-amino-3-[(1R)-2-methylidenecyclopropyl]propanoate;hydrochloride
CID 73425474
methyl 2-[[(2S)-2-[(3-chlorophenyl)methoxycarbonylamino]sulfanyl-3-cyclohexylpropanoyl]amino]-3-(2-oxo-8-oxa-1-azaspiro[4.5]decan-3-yl)propanoate
CID 156884347
methyl 2-[[(2S)-2-[[1-[(3-chlorophenyl)methyl]cyclobutyl]oxycarbonylamino]sulfanyl-4-methylpentanoyl]amino]-3-(2-oxo-8-oxa-1-azaspiro[4.5]decan-3-yl)propanoate
CID 156884250
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
(6R)-6-[(2S)-2-amino-4-(2,4-difluorophenoxy)-3-oxobutyl]-4-azaspiro[2.4]heptan-5-one;hydrochloride
CID 171784106
(2S)-2-(methylamino)-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanal
CID 167481044
(2S)-2-amino-3-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]-N-methoxy-N-methylpropanamide
CID 162695443
methanesulfonic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
CID 163323578
methyl (2S)-2-[[(2S)-4,4-dimethyl-2-(methylamino)pentanoyl]amino]-3-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]propanoate
CID 166893534
CID 176706795
CID 176706795
methyl 2-amino-3-cyclopropylpropanoate;hydrochloride
CID 66593108
methyl (2S)-3-(6,6-dimethyl-2-oxopiperidin-3-yl)-2-methylpropanoate
CID 167608778

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-(2-oxo-8-oxa-1-azaspiro[4.5]decan-3-yl)propanoate;hydrochloride?
The IUPAC name of methyl 2-amino-3-(2-oxo-8-oxa-1-azaspiro[4.5]decan-3-yl)propanoate;hydrochloride (CID 156884095) is methyl 2-amino-3-(2-oxo-8-oxa-1-azaspiro[4.5]decan-3-yl)propanoate;hydrochloride.
What is the SMILES notation for methyl 2-amino-3-(2-oxo-8-oxa-1-azaspiro[4.5]decan-3-yl)propanoate;hydrochloride?
The canonical SMILES for methyl 2-amino-3-(2-oxo-8-oxa-1-azaspiro[4.5]decan-3-yl)propanoate;hydrochloride is COC(=O)C(N)CC1CC2(CCOCC2)NC1=O.Cl.
What is the InChIKey of methyl 2-amino-3-(2-oxo-8-oxa-1-azaspiro[4.5]decan-3-yl)propanoate;hydrochloride?
The InChIKey is GVKIDZXQSWIPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4.ClH/c1-17-11(16)9(13)6-8-7-12(14-10(8)15)2-4-18-5-3-12;/h8-9H,2-7,13H2,1H3,(H,14,15);1H.
What are the key properties of methyl 2-amino-3-(2-oxo-8-oxa-1-azaspiro[4.5]decan-3-yl)propanoate;hydrochloride?
methyl 2-amino-3-(2-oxo-8-oxa-1-azaspiro[4.5]decan-3-yl)propanoate;hydrochloride has a molecular weight of 292.76 g/mol, XLogP of -0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-(2-oxo-8-oxa-1-azaspiro[4.5]decan-3-yl)propanoate;hydrochloride is sourced from PubChem (CID 156884095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).