(2S,3R)-3-hydroxy-2-[5-[(3R)-3-hydroxybutanoyl]-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl]butanamide

C15H25N3O5 — CID 171080700

IUPAC(2S,3R)-3-hydroxy-2-[5-[(3R)-3-hydroxybutanoyl]-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl]butanamide
SMILESC[C@@H](O)CC(=O)N1CCCCC12CN([C@H](C(N)=O)[C@@H](C)O)C2=O
InChIInChI=1S/C15H25N3O5/c1-9(19)7-11(21)18-6-4-3-5-15(18)8-17(14(15)23)12(10(2)20)13(16)22/h9-10,12,19-20H,3-8H2,1-2H3,(H2,16,22)/t9-,10-,12+,15?/m1/s1
InChIKeyRCXTUXPPPQPSBU-QCMHXBKZSA-N
MW327.38 g/mol
LogP-1.41
Rot. Bonds5

About (2S,3R)-3-hydroxy-2-[5-[(3R)-3-hydroxybutanoyl]-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl]butanamide

(2S,3R)-3-hydroxy-2-[5-[(3R)-3-hydroxybutanoyl]-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl]butanamide (PubChem CID 171080700) has the molecular formula C15H25N3O5 and a molecular weight of 327.38 g/mol. Its IUPAC name is (2S,3R)-3-hydroxy-2-[5-[(3R)-3-hydroxybutanoyl]-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl]butanamide.

Molecular Properties

Compound Name(2S,3R)-3-hydroxy-2-[5-[(3R)-3-hydroxybutanoyl]-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl]butanamide
PubChem CID171080700
Molecular FormulaC15H25N3O5
Molecular Weight327.38 g/mol
Exact Mass327.18
IUPAC Name(2S,3R)-3-hydroxy-2-[5-[(3R)-3-hydroxybutanoyl]-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl]butanamide
SMILESC[C@@H](O)CC(=O)N1CCCCC12CN([C@H](C(N)=O)[C@@H](C)O)C2=O
InChIInChI=1S/C15H25N3O5/c1-9(19)7-11(21)18-6-4-3-5-15(18)8-17(14(15)23)12(10(2)20)13(16)22/h9-10,12,19-20H,3-8H2,1-2H3,(H2,16,22)/t9-,10-,12+,15?/m1/s1
InChIKeyRCXTUXPPPQPSBU-QCMHXBKZSA-N
XLogP-1.41
TPSA124.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 5-1.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(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-(5-acetyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-3-hydroxybutanoic acid
CID 90329986
[3-hydroxy-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanoyl]azanium
CID 148619155
(2R)-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl]-3-sulfanylpropanamide
CID 171080838
(2R)-2-(5-acetyl-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl)-3-sulfanylpropanamide
CID 171080666
(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)-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
3-hydroxy-2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanoic acid
CID 135315576
(3R)-3-hydroxy-2-(7-methyl-3-oxo-2-azaspiro[3.5]nonan-2-yl)butanamide
CID 134244857
(2S,3R)-3-hydroxy-2-(3-oxo-2-azaspiro[4.7]dodecan-2-yl)butanamide
CID 139390715
(2S,3R)-3-hydroxy-2-(7-methyl-3,6-dioxo-2,7-diazaspiro[3.5]nonan-2-yl)butanamide
CID 139382772
2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl]acetamide
CID 171080897

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-hydroxy-2-[5-[(3R)-3-hydroxybutanoyl]-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl]butanamide?
The IUPAC name of (2S,3R)-3-hydroxy-2-[5-[(3R)-3-hydroxybutanoyl]-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl]butanamide (CID 171080700) is (2S,3R)-3-hydroxy-2-[5-[(3R)-3-hydroxybutanoyl]-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl]butanamide.
What is the SMILES notation for (2S,3R)-3-hydroxy-2-[5-[(3R)-3-hydroxybutanoyl]-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl]butanamide?
The canonical SMILES for (2S,3R)-3-hydroxy-2-[5-[(3R)-3-hydroxybutanoyl]-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl]butanamide is C[C@@H](O)CC(=O)N1CCCCC12CN([C@H](C(N)=O)[C@@H](C)O)C2=O.
What is the InChIKey of (2S,3R)-3-hydroxy-2-[5-[(3R)-3-hydroxybutanoyl]-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl]butanamide?
The InChIKey is RCXTUXPPPQPSBU-QCMHXBKZSA-N. The full InChI is InChI=1S/C15H25N3O5/c1-9(19)7-11(21)18-6-4-3-5-15(18)8-17(14(15)23)12(10(2)20)13(16)22/h9-10,12,19-20H,3-8H2,1-2H3,(H2,16,22)/t9-,10-,12+,15?/m1/s1.
What are the key properties of (2S,3R)-3-hydroxy-2-[5-[(3R)-3-hydroxybutanoyl]-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl]butanamide?
(2S,3R)-3-hydroxy-2-[5-[(3R)-3-hydroxybutanoyl]-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl]butanamide has a molecular weight of 327.38 g/mol, XLogP of -1.41, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-hydroxy-2-[5-[(3R)-3-hydroxybutanoyl]-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl]butanamide is sourced from PubChem (CID 171080700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).