tert-butyl 8-[(2R)-2-[methyl(phenylmethoxycarbonyl)amino]propanoyl]-2,8-diazaspiro[4.5]decane-2-carboxylate

C25H37N3O5 — CID 129073488

IUPACtert-butyl 8-[(2R)-2-[methyl(phenylmethoxycarbonyl)amino]propanoyl]-2,8-diazaspiro[4.5]decane-2-carboxylate
SMILESC[C@H](C(=O)N1CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1)N(C)C(=O)OCc1ccccc1
InChIInChI=1S/C25H37N3O5/c1-19(26(5)22(30)32-17-20-9-7-6-8-10-20)21(29)27-14-11-25(12-15-27)13-16-28(18-25)23(31)33-24(2,3)4/h6-10,19H,11-18H2,1-5H3/t19-/m1/s1
InChIKeyLDTORZGEOLCLPP-LJQANCHMSA-N
MW459.59 g/mol
LogP3.89
Rot. Bonds4

About tert-butyl 8-[(2R)-2-[methyl(phenylmethoxycarbonyl)amino]propanoyl]-2,8-diazaspiro[4.5]decane-2-carboxylate

tert-butyl 8-[(2R)-2-[methyl(phenylmethoxycarbonyl)amino]propanoyl]-2,8-diazaspiro[4.5]decane-2-carboxylate (PubChem CID 129073488) has the molecular formula C25H37N3O5 and a molecular weight of 459.59 g/mol. Its IUPAC name is tert-butyl 8-[(2R)-2-[methyl(phenylmethoxycarbonyl)amino]propanoyl]-2,8-diazaspiro[4.5]decane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 8-[(2R)-2-[methyl(phenylmethoxycarbonyl)amino]propanoyl]-2,8-diazaspiro[4.5]decane-2-carboxylate
PubChem CID129073488
Molecular FormulaC25H37N3O5
Molecular Weight459.59 g/mol
Exact Mass459.27
IUPAC Nametert-butyl 8-[(2R)-2-[methyl(phenylmethoxycarbonyl)amino]propanoyl]-2,8-diazaspiro[4.5]decane-2-carboxylate
SMILESC[C@H](C(=O)N1CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1)N(C)C(=O)OCc1ccccc1
InChIInChI=1S/C25H37N3O5/c1-19(26(5)22(30)32-17-20-9-7-6-8-10-20)21(29)27-14-11-25(12-15-27)13-16-28(18-25)23(31)33-24(2,3)4/h6-10,19H,11-18H2,1-5H3/t19-/m1/s1
InChIKeyLDTORZGEOLCLPP-LJQANCHMSA-N
XLogP3.89
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 8-[(2R)-2-[methyl(phenylmethoxycarbonyl)amino]propanoyl]-2,8-diazaspiro[4.5]decane-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (5R)-7-[(2S)-3-methyl-1-oxo-1-phenylmethoxybutan-2-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 166116219
benzyl 8-[(2S)-2-aminopropanoyl]-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 97175447
tert-butyl 6-[methyl(phenylmethoxycarbonyl)amino]-2-azaspiro[3.3]heptane-2-carboxylate
CID 163274863
tert-butyl 9-benzyl-2,9-diazaspiro[4.6]undecane-2-carboxylate
CID 59818863
tert-butyl (3S)-3-(methoxymethyl)-3-(phenylmethoxycarbonylamino)pyrrolidine-1-carboxylate
CID 175984767
azane;(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(phenylmethoxymethyl)pyrrolidine-3-carboxylic acid
CID 135322720
9-O-benzyl 2-O-tert-butyl (5R)-2,6,9-triazaspiro[4.5]decane-2,9-dicarboxylate
CID 97111040
tert-butyl 9-(1-phenylmethoxycarbonylpiperidin-4-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 166095550
(4S,5R)-7-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenylmethoxycarbonyl-2,7-diazaspiro[4.4]nonane-4-carboxylic acid
CID 97110966
(1-oxo-1-phenylmethoxypropan-2-yl) (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 122703485
1-O-benzyl 1-O'-tert-butyl spiro[2,4-dihydroquinoline-3,4'-piperidine]-1,1'-dicarboxylate
CID 118412303
2-O-benzyl 8-O-tert-butyl (3S)-3-(hydroxymethyl)-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate
CID 124518922

Frequently Asked Questions

What is the IUPAC name of tert-butyl 8-[(2R)-2-[methyl(phenylmethoxycarbonyl)amino]propanoyl]-2,8-diazaspiro[4.5]decane-2-carboxylate?
The IUPAC name of tert-butyl 8-[(2R)-2-[methyl(phenylmethoxycarbonyl)amino]propanoyl]-2,8-diazaspiro[4.5]decane-2-carboxylate (CID 129073488) is tert-butyl 8-[(2R)-2-[methyl(phenylmethoxycarbonyl)amino]propanoyl]-2,8-diazaspiro[4.5]decane-2-carboxylate.
What is the SMILES notation for tert-butyl 8-[(2R)-2-[methyl(phenylmethoxycarbonyl)amino]propanoyl]-2,8-diazaspiro[4.5]decane-2-carboxylate?
The canonical SMILES for tert-butyl 8-[(2R)-2-[methyl(phenylmethoxycarbonyl)amino]propanoyl]-2,8-diazaspiro[4.5]decane-2-carboxylate is C[C@H](C(=O)N1CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1)N(C)C(=O)OCc1ccccc1.
What is the InChIKey of tert-butyl 8-[(2R)-2-[methyl(phenylmethoxycarbonyl)amino]propanoyl]-2,8-diazaspiro[4.5]decane-2-carboxylate?
The InChIKey is LDTORZGEOLCLPP-LJQANCHMSA-N. The full InChI is InChI=1S/C25H37N3O5/c1-19(26(5)22(30)32-17-20-9-7-6-8-10-20)21(29)27-14-11-25(12-15-27)13-16-28(18-25)23(31)33-24(2,3)4/h6-10,19H,11-18H2,1-5H3/t19-/m1/s1.
What are the key properties of tert-butyl 8-[(2R)-2-[methyl(phenylmethoxycarbonyl)amino]propanoyl]-2,8-diazaspiro[4.5]decane-2-carboxylate?
tert-butyl 8-[(2R)-2-[methyl(phenylmethoxycarbonyl)amino]propanoyl]-2,8-diazaspiro[4.5]decane-2-carboxylate has a molecular weight of 459.59 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 8-[(2R)-2-[methyl(phenylmethoxycarbonyl)amino]propanoyl]-2,8-diazaspiro[4.5]decane-2-carboxylate is sourced from PubChem (CID 129073488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).