(2S,3R)-2-[8-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-5-benzyl-3,7-dioxo-2,5,8-triazadispiro[3.1.36.24]undecan-2-yl]-3-hydroxybutanamide

C23H31N5O6 — CID 134243988

IUPAC(2S,3R)-2-[8-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-5-benzyl-3,7-dioxo-2,5,8-triazadispiro[3.1.36.24]undecan-2-yl]-3-hydroxybutanamide
SMILESC[C@@H](O)[C@@H](C(N)=O)N1CC2(CCC3(CN([C@H](C(N)=O)[C@@H](C)O)C3=O)N2Cc2ccccc2)C1=O
InChIInChI=1S/C23H31N5O6/c1-13(29)16(18(24)31)26-11-22(20(26)33)8-9-23(28(22)10-15-6-4-3-5-7-15)12-27(21(23)34)17(14(2)30)19(25)32/h3-7,13-14,16-17,29-30H,8-12H2,1-2H3,(H2,24,31)(H2,25,32)/t13-,14-,16+,17+,22?,23?/m1/s1
InChIKeyRMNGMGOBGZZTTP-UPFKBKGFSA-N
MW473.53 g/mol
LogP-2.09
Rot. Bonds8

About (2S,3R)-2-[8-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-5-benzyl-3,7-dioxo-2,5,8-triazadispiro[3.1.36.24]undecan-2-yl]-3-hydroxybutanamide

(2S,3R)-2-[8-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-5-benzyl-3,7-dioxo-2,5,8-triazadispiro[3.1.36.24]undecan-2-yl]-3-hydroxybutanamide (PubChem CID 134243988) has the molecular formula C23H31N5O6 and a molecular weight of 473.53 g/mol. Its IUPAC name is (2S,3R)-2-[8-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-5-benzyl-3,7-dioxo-2,5,8-triazadispiro[3.1.36.24]undecan-2-yl]-3-hydroxybutanamide.

Molecular Properties

Compound Name(2S,3R)-2-[8-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-5-benzyl-3,7-dioxo-2,5,8-triazadispiro[3.1.36.24]undecan-2-yl]-3-hydroxybutanamide
PubChem CID134243988
Molecular FormulaC23H31N5O6
Molecular Weight473.53 g/mol
Exact Mass473.23
IUPAC Name(2S,3R)-2-[8-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-5-benzyl-3,7-dioxo-2,5,8-triazadispiro[3.1.36.24]undecan-2-yl]-3-hydroxybutanamide
SMILESC[C@@H](O)[C@@H](C(N)=O)N1CC2(CCC3(CN([C@H](C(N)=O)[C@@H](C)O)C3=O)N2Cc2ccccc2)C1=O
InChIInChI=1S/C23H31N5O6/c1-13(29)16(18(24)31)26-11-22(20(26)33)8-9-23(28(22)10-15-6-4-3-5-7-15)12-27(21(23)34)17(14(2)30)19(25)32/h3-7,13-14,16-17,29-30H,8-12H2,1-2H3,(H2,24,31)(H2,25,32)/t13-,14-,16+,17+,22?,23?/m1/s1
InChIKeyRMNGMGOBGZZTTP-UPFKBKGFSA-N
XLogP-2.09
TPSA170.50 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 5-2.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze (2S,3R)-2-[8-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-5-benzyl-3,7-dioxo-2,5,8-triazadispiro[3.1.36.24]undecan-2-yl]-3-hydroxybutanamide with MolForge

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Related Compounds

2-(5-benzyl-2,5-diazaspiro[3.4]octan-2-yl)-3-hydroxybutanamide
CID 139371259
(2S,3R)-2-[5-[(2S,3R)-2-amino-3-hydroxybutanoyl]-3-oxo-2,5-diazaspiro[3.6]decan-2-yl]-3-hydroxybutanamide
CID 171080731
(2S,3R)-2-[10-acetyl-8-[(2R,3S)-2-hydroxy-4-oxopentan-3-yl]-3,9-dioxo-2,8,10-triazadispiro[3.1.36.24]undecan-2-yl]-3-hydroxybutanamide
CID 161249867
(2S,3R)-3-hydroxy-2-(7-methyl-3,6-dioxo-2,7-diazaspiro[3.5]nonan-2-yl)butanamide
CID 139382772
(2S,3R)-3-hydroxy-2-[6-oxo-3-(phenylmethoxymethyl)-2,5-diazaspiro[3.4]octan-2-yl]butanamide
CID 139379745
benzyl (2S)-2-[(4R)-5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]propanoate
CID 156702889
(2S,3R)-2-(5-acetyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-3-hydroxybutanoic acid
CID 90329986
(2S,3R)-3-hydroxy-2-(3-oxo-2-azaspiro[4.7]dodecan-2-yl)butanamide
CID 139390715
(6S)-2,8-dibenzyl-5-(2-methylpropanoyl)-2,5,8-triazadispiro[3.1.36.24]undecan-7-one
CID 139370870
2,8-dibenzyl-5-(2-methylpropanoyl)-2,5,8-triazadispiro[3.1.36.24]undecan-7-one
CID 139374401
benzyl 6-butan-2-yl-1,3,6-trimethyl-7-oxoazepane-3-carboxylate
CID 167239523
1-benzyl-2,2,4,6,6-pentamethylpiperidine;methyl carbamate
CID 67933670

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-[8-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-5-benzyl-3,7-dioxo-2,5,8-triazadispiro[3.1.36.24]undecan-2-yl]-3-hydroxybutanamide?
The IUPAC name of (2S,3R)-2-[8-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-5-benzyl-3,7-dioxo-2,5,8-triazadispiro[3.1.36.24]undecan-2-yl]-3-hydroxybutanamide (CID 134243988) is (2S,3R)-2-[8-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-5-benzyl-3,7-dioxo-2,5,8-triazadispiro[3.1.36.24]undecan-2-yl]-3-hydroxybutanamide.
What is the SMILES notation for (2S,3R)-2-[8-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-5-benzyl-3,7-dioxo-2,5,8-triazadispiro[3.1.36.24]undecan-2-yl]-3-hydroxybutanamide?
The canonical SMILES for (2S,3R)-2-[8-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-5-benzyl-3,7-dioxo-2,5,8-triazadispiro[3.1.36.24]undecan-2-yl]-3-hydroxybutanamide is C[C@@H](O)[C@@H](C(N)=O)N1CC2(CCC3(CN([C@H](C(N)=O)[C@@H](C)O)C3=O)N2Cc2ccccc2)C1=O.
What is the InChIKey of (2S,3R)-2-[8-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-5-benzyl-3,7-dioxo-2,5,8-triazadispiro[3.1.36.24]undecan-2-yl]-3-hydroxybutanamide?
The InChIKey is RMNGMGOBGZZTTP-UPFKBKGFSA-N. The full InChI is InChI=1S/C23H31N5O6/c1-13(29)16(18(24)31)26-11-22(20(26)33)8-9-23(28(22)10-15-6-4-3-5-7-15)12-27(21(23)34)17(14(2)30)19(25)32/h3-7,13-14,16-17,29-30H,8-12H2,1-2H3,(H2,24,31)(H2,25,32)/t13-,14-,16+,17+,22?,23?/m1/s1.
What are the key properties of (2S,3R)-2-[8-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-5-benzyl-3,7-dioxo-2,5,8-triazadispiro[3.1.36.24]undecan-2-yl]-3-hydroxybutanamide?
(2S,3R)-2-[8-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-5-benzyl-3,7-dioxo-2,5,8-triazadispiro[3.1.36.24]undecan-2-yl]-3-hydroxybutanamide has a molecular weight of 473.53 g/mol, XLogP of -2.09, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-[8-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-5-benzyl-3,7-dioxo-2,5,8-triazadispiro[3.1.36.24]undecan-2-yl]-3-hydroxybutanamide is sourced from PubChem (CID 134243988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).