tert-butyl 2-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-hydroxy-5-(2-methylpropanoyl)-2,5,8-triazaspiro[3.5]nonane-8-carboxylate

C18H32N4O6 — CID 134241877

IUPACtert-butyl 2-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-hydroxy-5-(2-methylpropanoyl)-2,5,8-triazaspiro[3.5]nonane-8-carboxylate
SMILESCC(C)C(=O)N1CCN(C(=O)OC(C)(C)C)CC12CN([C@@H](CO)C(N)=O)C2O
InChIInChI=1S/C18H32N4O6/c1-11(2)14(25)22-7-6-20(16(27)28-17(3,4)5)9-18(22)10-21(15(18)26)12(8-23)13(19)24/h11-12,15,23,26H,6-10H2,1-5H3,(H2,19,24)/t12-,15?,18?/m0/s1
InChIKeyWVJIZWDNLFSOIL-RTYYOJRZSA-N
MW400.48 g/mol
LogP-1.06
Rot. Bonds4

About tert-butyl 2-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-hydroxy-5-(2-methylpropanoyl)-2,5,8-triazaspiro[3.5]nonane-8-carboxylate

tert-butyl 2-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-hydroxy-5-(2-methylpropanoyl)-2,5,8-triazaspiro[3.5]nonane-8-carboxylate (PubChem CID 134241877) has the molecular formula C18H32N4O6 and a molecular weight of 400.48 g/mol. Its IUPAC name is tert-butyl 2-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-hydroxy-5-(2-methylpropanoyl)-2,5,8-triazaspiro[3.5]nonane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-hydroxy-5-(2-methylpropanoyl)-2,5,8-triazaspiro[3.5]nonane-8-carboxylate
PubChem CID134241877
Molecular FormulaC18H32N4O6
Molecular Weight400.48 g/mol
Exact Mass400.23
IUPAC Nametert-butyl 2-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-hydroxy-5-(2-methylpropanoyl)-2,5,8-triazaspiro[3.5]nonane-8-carboxylate
SMILESCC(C)C(=O)N1CCN(C(=O)OC(C)(C)C)CC12CN([C@@H](CO)C(N)=O)C2O
InChIInChI=1S/C18H32N4O6/c1-11(2)14(25)22-7-6-20(16(27)28-17(3,4)5)9-18(22)10-21(15(18)26)12(8-23)13(19)24/h11-12,15,23,26H,6-10H2,1-5H3,(H2,19,24)/t12-,15?,18?/m0/s1
InChIKeyWVJIZWDNLFSOIL-RTYYOJRZSA-N
XLogP-1.06
TPSA136.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 5-1.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze tert-butyl 2-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-hydroxy-5-(2-methylpropanoyl)-2,5,8-triazaspiro[3.5]nonane-8-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 5-acetyl-2-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-oxo-2,5,8-triazaspiro[3.5]nonane-8-carboxylate
CID 134241865
tert-butyl 4-[(2R)-2-aminopropanoyl]piperazine-1-carboxylate
CID 28505550
2-tert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1,2-dicarboxylic acid
CID 90868223
tert-butyl 2-(2-aminopropyl)-5-azaspiro[2.4]heptane-5-carboxylate
CID 84708274
tert-butyl 4-(2-methylpropanoyl)piperazine-1-carboxylate;2-methyl-1-piperazin-1-ylpropan-1-one
CID 159250302
tert-butyl 3,3-difluoropyrrolidine-1-carboxylate
CID 18542424
tert-butyl 3-amino-3-(2-hydroxypropyl)piperidine-1-carboxylate
CID 115048296
4-(2-methylpropanoyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
CID 138986876
tert-butyl 3-amino-3-(trifluoromethyl)azetidine-1-carboxylate
CID 50986404
tert-butyl 2-[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]-5-methyl-3-oxo-2,5,8-triazaspiro[3.5]nonane-8-carboxylate
CID 134241870
ditert-butyl 6-hydroxy-6-methyl-1,4-diazepane-1,4-dicarboxylate
CID 89456794
tert-butyl (3S)-3-amino-3-(hydroxymethyl)piperidine-1-carboxylate
CID 96892899

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-hydroxy-5-(2-methylpropanoyl)-2,5,8-triazaspiro[3.5]nonane-8-carboxylate?
The IUPAC name of tert-butyl 2-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-hydroxy-5-(2-methylpropanoyl)-2,5,8-triazaspiro[3.5]nonane-8-carboxylate (CID 134241877) is tert-butyl 2-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-hydroxy-5-(2-methylpropanoyl)-2,5,8-triazaspiro[3.5]nonane-8-carboxylate.
What is the SMILES notation for tert-butyl 2-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-hydroxy-5-(2-methylpropanoyl)-2,5,8-triazaspiro[3.5]nonane-8-carboxylate?
The canonical SMILES for tert-butyl 2-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-hydroxy-5-(2-methylpropanoyl)-2,5,8-triazaspiro[3.5]nonane-8-carboxylate is CC(C)C(=O)N1CCN(C(=O)OC(C)(C)C)CC12CN([C@@H](CO)C(N)=O)C2O.
What is the InChIKey of tert-butyl 2-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-hydroxy-5-(2-methylpropanoyl)-2,5,8-triazaspiro[3.5]nonane-8-carboxylate?
The InChIKey is WVJIZWDNLFSOIL-RTYYOJRZSA-N. The full InChI is InChI=1S/C18H32N4O6/c1-11(2)14(25)22-7-6-20(16(27)28-17(3,4)5)9-18(22)10-21(15(18)26)12(8-23)13(19)24/h11-12,15,23,26H,6-10H2,1-5H3,(H2,19,24)/t12-,15?,18?/m0/s1.
What are the key properties of tert-butyl 2-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-hydroxy-5-(2-methylpropanoyl)-2,5,8-triazaspiro[3.5]nonane-8-carboxylate?
tert-butyl 2-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-hydroxy-5-(2-methylpropanoyl)-2,5,8-triazaspiro[3.5]nonane-8-carboxylate has a molecular weight of 400.48 g/mol, XLogP of -1.06, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-hydroxy-5-(2-methylpropanoyl)-2,5,8-triazaspiro[3.5]nonane-8-carboxylate is sourced from PubChem (CID 134241877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).