(2S,3R)-3-hydroxy-2-[[5-(2-methylpropyl)-3-oxo-2,5-diazaspiro[3.4]octan-6-yl]methylamino]butanamide

C15H28N4O3 — CID 142283798

IUPAC(2S,3R)-3-hydroxy-2-[[5-(2-methylpropyl)-3-oxo-2,5-diazaspiro[3.4]octan-6-yl]methylamino]butanamide
SMILESCC(C)CN1C(CN[C@H](C(N)=O)[C@@H](C)O)CCC12CNC2=O
InChIInChI=1S/C15H28N4O3/c1-9(2)7-19-11(4-5-15(19)8-18-14(15)22)6-17-12(10(3)20)13(16)21/h9-12,17,20H,4-8H2,1-3H3,(H2,16,21)(H,18,22)/t10-,11?,12+,15?/m1/s1
InChIKeyJJHUDQONMIYMNZ-AKUZOMFGSA-N
MW312.41 g/mol
LogP-1.20
Rot. Bonds7

About (2S,3R)-3-hydroxy-2-[[5-(2-methylpropyl)-3-oxo-2,5-diazaspiro[3.4]octan-6-yl]methylamino]butanamide

(2S,3R)-3-hydroxy-2-[[5-(2-methylpropyl)-3-oxo-2,5-diazaspiro[3.4]octan-6-yl]methylamino]butanamide (PubChem CID 142283798) has the molecular formula C15H28N4O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is (2S,3R)-3-hydroxy-2-[[5-(2-methylpropyl)-3-oxo-2,5-diazaspiro[3.4]octan-6-yl]methylamino]butanamide.

Molecular Properties

Compound Name(2S,3R)-3-hydroxy-2-[[5-(2-methylpropyl)-3-oxo-2,5-diazaspiro[3.4]octan-6-yl]methylamino]butanamide
PubChem CID142283798
Molecular FormulaC15H28N4O3
Molecular Weight312.41 g/mol
Exact Mass312.22
IUPAC Name(2S,3R)-3-hydroxy-2-[[5-(2-methylpropyl)-3-oxo-2,5-diazaspiro[3.4]octan-6-yl]methylamino]butanamide
SMILESCC(C)CN1C(CN[C@H](C(N)=O)[C@@H](C)O)CCC12CNC2=O
InChIInChI=1S/C15H28N4O3/c1-9(2)7-19-11(4-5-15(19)8-18-14(15)22)6-17-12(10(3)20)13(16)21/h9-12,17,20H,4-8H2,1-3H3,(H2,16,21)(H,18,22)/t10-,11?,12+,15?/m1/s1
InChIKeyJJHUDQONMIYMNZ-AKUZOMFGSA-N
XLogP-1.20
TPSA107.69 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 5-1.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-hydroxy-2-[[5-(2-methylpropyl)-3-oxo-2,5-diazaspiro[3.4]octan-6-yl]methylamino]butanamide?
The IUPAC name of (2S,3R)-3-hydroxy-2-[[5-(2-methylpropyl)-3-oxo-2,5-diazaspiro[3.4]octan-6-yl]methylamino]butanamide (CID 142283798) is (2S,3R)-3-hydroxy-2-[[5-(2-methylpropyl)-3-oxo-2,5-diazaspiro[3.4]octan-6-yl]methylamino]butanamide.
What is the SMILES notation for (2S,3R)-3-hydroxy-2-[[5-(2-methylpropyl)-3-oxo-2,5-diazaspiro[3.4]octan-6-yl]methylamino]butanamide?
The canonical SMILES for (2S,3R)-3-hydroxy-2-[[5-(2-methylpropyl)-3-oxo-2,5-diazaspiro[3.4]octan-6-yl]methylamino]butanamide is CC(C)CN1C(CN[C@H](C(N)=O)[C@@H](C)O)CCC12CNC2=O.
What is the InChIKey of (2S,3R)-3-hydroxy-2-[[5-(2-methylpropyl)-3-oxo-2,5-diazaspiro[3.4]octan-6-yl]methylamino]butanamide?
The InChIKey is JJHUDQONMIYMNZ-AKUZOMFGSA-N. The full InChI is InChI=1S/C15H28N4O3/c1-9(2)7-19-11(4-5-15(19)8-18-14(15)22)6-17-12(10(3)20)13(16)21/h9-12,17,20H,4-8H2,1-3H3,(H2,16,21)(H,18,22)/t10-,11?,12+,15?/m1/s1.
What are the key properties of (2S,3R)-3-hydroxy-2-[[5-(2-methylpropyl)-3-oxo-2,5-diazaspiro[3.4]octan-6-yl]methylamino]butanamide?
(2S,3R)-3-hydroxy-2-[[5-(2-methylpropyl)-3-oxo-2,5-diazaspiro[3.4]octan-6-yl]methylamino]butanamide has a molecular weight of 312.41 g/mol, XLogP of -1.20, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-hydroxy-2-[[5-(2-methylpropyl)-3-oxo-2,5-diazaspiro[3.4]octan-6-yl]methylamino]butanamide is sourced from PubChem (CID 142283798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).