(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

C19H28N4O7 — CID 161249867

IUPAC(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
SMILESCC(=O)[C@H]([C@@H](C)O)N1CC2(CC3(CN([C@H](C(N)=O)[C@@H](C)O)C3=O)CN2C(C)=O)C1=O
InChIInChI=1S/C19H28N4O7/c1-9(24)13(10(2)25)22-8-19(17(22)30)5-18(7-23(19)12(4)27)6-21(16(18)29)14(11(3)26)15(20)28/h9,11,13-14,24,26H,5-8H2,1-4H3,(H2,20,28)/t9-,11-,13+,14+,18?,19?/m1/s1
InChIKeyVMUVVPPUDVFNOE-ZRFXKMJCSA-N
MW424.45 g/mol
LogP-2.78
Rot. Bonds6

About (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

(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 (PubChem CID 161249867) has the molecular formula C19H28N4O7 and a molecular weight of 424.45 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID161249867
Molecular FormulaC19H28N4O7
Molecular Weight424.45 g/mol
Exact Mass424.20
IUPAC Name(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
SMILESCC(=O)[C@H]([C@@H](C)O)N1CC2(CC3(CN([C@H](C(N)=O)[C@@H](C)O)C3=O)CN2C(C)=O)C1=O
InChIInChI=1S/C19H28N4O7/c1-9(24)13(10(2)25)22-8-19(17(22)30)5-18(7-23(19)12(4)27)6-21(16(18)29)14(11(3)26)15(20)28/h9,11,13-14,24,26H,5-8H2,1-4H3,(H2,20,28)/t9-,11-,13+,14+,18?,19?/m1/s1
InChIKeyVMUVVPPUDVFNOE-ZRFXKMJCSA-N
XLogP-2.78
TPSA161.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 5-2.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (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 with MolForge

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Related Compounds

(3R)-3-hydroxy-2-(7-methyl-3-oxo-2-azaspiro[3.5]nonan-2-yl)butanamide
CID 134244857
(2S,3R)-3-hydroxy-2-(7-methyl-3,6-dioxo-2,7-diazaspiro[3.5]nonan-2-yl)butanamide
CID 139382772
(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)-3-hydroxy-2-[5-[(3R)-3-hydroxybutanoyl]-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl]butanamide
CID 171080700
(2S,3R)-2-(5-acetyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-3-hydroxybutanoic acid
CID 90329986
(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
(2S,3R)-3-hydroxy-2-(3-oxo-2-azaspiro[4.7]dodecan-2-yl)butanamide
CID 139390715
(2S,3R)-3-hydroxy-2-(7-methyl-3-oxo-2-azaspiro[3.5]nonan-2-yl)butanoic acid
CID 134231155
[3-hydroxy-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanoyl]azanium
CID 148619155
(2R)-2-(5-acetyl-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl)-3-sulfanylpropanamide
CID 171080666
3-hydroxy-2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanoic acid
CID 135315576
7-hydroxy-2-(1-hydroxy-3-oxobutan-2-yl)-2-azaspiro[3.5]nonan-3-one;2-(7-hydroxy-3-oxo-2-azaspiro[3.5]nonan-2-yl)-5-oxohexanamide;2-(1-hydroxy-3-oxobutan-2-yl)-7-methyl-2-azaspiro[3.5]nonan-3-one;2-[(2R)-2-hydroxy-4-oxopentan-3-yl]-7-methyl-2-azaspiro[3.5]nonan-3-one;7-hydroxy-2-(2-oxopropyl)-2-azaspiro[3.5]nonan-3-one;7-hydroxy-2-(3-oxo-1-sulfanylbutan-2-yl)-2-azaspiro[3.5]nonan-3-one
CID 167552850

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(=O)[C@H]([C@@H](C)O)N1CC2(CC3(CN([C@H](C(N)=O)[C@@H](C)O)C3=O)CN2C(C)=O)C1=O.
What is the InChIKey of (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?
The InChIKey is VMUVVPPUDVFNOE-ZRFXKMJCSA-N. The full InChI is InChI=1S/C19H28N4O7/c1-9(24)13(10(2)25)22-8-19(17(22)30)5-18(7-23(19)12(4)27)6-21(16(18)29)14(11(3)26)15(20)28/h9,11,13-14,24,26H,5-8H2,1-4H3,(H2,20,28)/t9-,11-,13+,14+,18?,19?/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 424.45 g/mol, XLogP of -2.78, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 161249867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).