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

C14H27N3O2 — CID 139379308

IUPAC(2S,3R)-3-hydroxy-2-[5-(2-methylpropyl)-2,5-diazaspiro[3.4]octan-2-yl]butanamide
SMILESCC(C)CN1CCCC12CN([C@H](C(N)=O)[C@@H](C)O)C2
InChIInChI=1S/C14H27N3O2/c1-10(2)7-17-6-4-5-14(17)8-16(9-14)12(11(3)18)13(15)19/h10-12,18H,4-9H2,1-3H3,(H2,15,19)/t11-,12+/m1/s1
InChIKeySYRQVNGGQYJIJZ-NEPJUHHUSA-N
MW269.39 g/mol
LogP0.03
Rot. Bonds5

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

(2S,3R)-3-hydroxy-2-[5-(2-methylpropyl)-2,5-diazaspiro[3.4]octan-2-yl]butanamide (PubChem CID 139379308) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is (2S,3R)-3-hydroxy-2-[5-(2-methylpropyl)-2,5-diazaspiro[3.4]octan-2-yl]butanamide.

Molecular Properties

Compound Name(2S,3R)-3-hydroxy-2-[5-(2-methylpropyl)-2,5-diazaspiro[3.4]octan-2-yl]butanamide
PubChem CID139379308
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name(2S,3R)-3-hydroxy-2-[5-(2-methylpropyl)-2,5-diazaspiro[3.4]octan-2-yl]butanamide
SMILESCC(C)CN1CCCC12CN([C@H](C(N)=O)[C@@H](C)O)C2
InChIInChI=1S/C14H27N3O2/c1-10(2)7-17-6-4-5-14(17)8-16(9-14)12(11(3)18)13(15)19/h10-12,18H,4-9H2,1-3H3,(H2,15,19)/t11-,12+/m1/s1
InChIKeySYRQVNGGQYJIJZ-NEPJUHHUSA-N
XLogP0.03
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-hydroxy-2-[5-(2-methylpropyl)-2,5-diazaspiro[3.4]octan-2-yl]butanamide?
The IUPAC name of (2S,3R)-3-hydroxy-2-[5-(2-methylpropyl)-2,5-diazaspiro[3.4]octan-2-yl]butanamide (CID 139379308) is (2S,3R)-3-hydroxy-2-[5-(2-methylpropyl)-2,5-diazaspiro[3.4]octan-2-yl]butanamide.
What is the SMILES notation for (2S,3R)-3-hydroxy-2-[5-(2-methylpropyl)-2,5-diazaspiro[3.4]octan-2-yl]butanamide?
The canonical SMILES for (2S,3R)-3-hydroxy-2-[5-(2-methylpropyl)-2,5-diazaspiro[3.4]octan-2-yl]butanamide is CC(C)CN1CCCC12CN([C@H](C(N)=O)[C@@H](C)O)C2.
What is the InChIKey of (2S,3R)-3-hydroxy-2-[5-(2-methylpropyl)-2,5-diazaspiro[3.4]octan-2-yl]butanamide?
The InChIKey is SYRQVNGGQYJIJZ-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-10(2)7-17-6-4-5-14(17)8-16(9-14)12(11(3)18)13(15)19/h10-12,18H,4-9H2,1-3H3,(H2,15,19)/t11-,12+/m1/s1.
What are the key properties of (2S,3R)-3-hydroxy-2-[5-(2-methylpropyl)-2,5-diazaspiro[3.4]octan-2-yl]butanamide?
(2S,3R)-3-hydroxy-2-[5-(2-methylpropyl)-2,5-diazaspiro[3.4]octan-2-yl]butanamide has a molecular weight of 269.39 g/mol, XLogP of 0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-hydroxy-2-[5-(2-methylpropyl)-2,5-diazaspiro[3.4]octan-2-yl]butanamide is sourced from PubChem (CID 139379308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).