methyl 2-[1-[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetate

C22H37N3O6 — CID 59102586

IUPACmethyl 2-[1-[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetate
SMILESCOC(=O)CN1CCCC2(CCCN2C(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C22H37N3O6/c1-15(2)13-16(23-20(29)31-21(3,4)5)18(27)25-12-8-10-22(25)9-7-11-24(19(22)28)14-17(26)30-6/h15-16H,7-14H2,1-6H3,(H,23,29)/t16-,22?/m0/s1
InChIKeySYLPLTLDUBVIIE-CISYCMJJSA-N
MW439.55 g/mol
LogP2.08
Rot. Bonds6

About methyl 2-[1-[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetate

methyl 2-[1-[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetate (PubChem CID 59102586) has the molecular formula C22H37N3O6 and a molecular weight of 439.55 g/mol. Its IUPAC name is methyl 2-[1-[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetate
PubChem CID59102586
Molecular FormulaC22H37N3O6
Molecular Weight439.55 g/mol
Exact Mass439.27
IUPAC Namemethyl 2-[1-[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetate
SMILESCOC(=O)CN1CCCC2(CCCN2C(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C22H37N3O6/c1-15(2)13-16(23-20(29)31-21(3,4)5)18(27)25-12-8-10-22(25)9-7-11-24(19(22)28)14-17(26)30-6/h15-16H,7-14H2,1-6H3,(H,23,29)/t16-,22?/m0/s1
InChIKeySYLPLTLDUBVIIE-CISYCMJJSA-N
XLogP2.08
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.55
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[1-[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetate with MolForge

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Launch Full Analysis

Related Compounds

2-[(5S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetic acid
CID 24805629
tert-butyl (5R)-8-hydroxy-9-(2-methoxy-2-oxoethyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxylate
CID 24805627
tert-butyl (5S)-9-[(2R)-4-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxylate
CID 10905991
tert-butyl N-[(E,4S,7S)-7-benzyl-2-methyl-8-oxo-8-(2-oxo-4-azaspiro[2.4]heptan-4-yl)oct-5-en-4-yl]carbamate
CID 154951417
methyl 2-(10-oxo-1,9-diazaspiro[4.5]decan-9-yl)acetate
CID 73013471
tert-butyl 2-[2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-2-oxoethyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate
CID 134486910
tert-butyl N-[3-hydroxy-1-[2-(1,2,4-oxadiazol-5-ylmethyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamate
CID 118593133
methyl (Z)-4-fluoro-7-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]oct-3-enoate
CID 132580030
tert-butyl N-[(2S)-1-(3-hydroxypyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]carbamate
CID 10709372
tert-butyl 2-[2-[(2-hydroxy-1-pyrimidin-2-ylpropyl)amino]-2-oxoethyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate
CID 118589521
tert-butyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate
CID 63789574
tert-butyl 2-[(5R)-7-(2-amino-2-oxoethyl)-6-oxo-1,7-diazaspiro[4.4]nonane-1-carbonyl]pyrrolidine-1-carboxylate
CID 10250034

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetate?
The IUPAC name of methyl 2-[1-[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetate (CID 59102586) is methyl 2-[1-[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetate.
What is the SMILES notation for methyl 2-[1-[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetate?
The canonical SMILES for methyl 2-[1-[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetate is COC(=O)CN1CCCC2(CCCN2C(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C1=O.
What is the InChIKey of methyl 2-[1-[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetate?
The InChIKey is SYLPLTLDUBVIIE-CISYCMJJSA-N. The full InChI is InChI=1S/C22H37N3O6/c1-15(2)13-16(23-20(29)31-21(3,4)5)18(27)25-12-8-10-22(25)9-7-11-24(19(22)28)14-17(26)30-6/h15-16H,7-14H2,1-6H3,(H,23,29)/t16-,22?/m0/s1.
What are the key properties of methyl 2-[1-[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetate?
methyl 2-[1-[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetate has a molecular weight of 439.55 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetate is sourced from PubChem (CID 59102586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).