(2S,3R)-3-hydroxy-N,N,2,3-tetramethylpentanamide

C9H19NO2 — CID 15642435

IUPAC(2S,3R)-3-hydroxy-N,N,2,3-tetramethylpentanamide
SMILESCC[C@@](C)(O)[C@H](C)C(=O)N(C)C
InChIInChI=1S/C9H19NO2/c1-6-9(3,12)7(2)8(11)10(4)5/h7,12H,6H2,1-5H3/t7-,9-/m1/s1
InChIKeyMSAJTQZBGGGJKC-VXNVDRBHSA-N
MW173.26 g/mol
LogP0.87
Rot. Bonds3

About (2S,3R)-3-hydroxy-N,N,2,3-tetramethylpentanamide

(2S,3R)-3-hydroxy-N,N,2,3-tetramethylpentanamide (PubChem CID 15642435) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is (2S,3R)-3-hydroxy-N,N,2,3-tetramethylpentanamide.

Molecular Properties

Compound Name(2S,3R)-3-hydroxy-N,N,2,3-tetramethylpentanamide
PubChem CID15642435
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name(2S,3R)-3-hydroxy-N,N,2,3-tetramethylpentanamide
SMILESCC[C@@](C)(O)[C@H](C)C(=O)N(C)C
InChIInChI=1S/C9H19NO2/c1-6-9(3,12)7(2)8(11)10(4)5/h7,12H,6H2,1-5H3/t7-,9-/m1/s1
InChIKeyMSAJTQZBGGGJKC-VXNVDRBHSA-N
XLogP0.87
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-hydroxy-N,N,2,3-tetramethylpentanamide?
The IUPAC name of (2S,3R)-3-hydroxy-N,N,2,3-tetramethylpentanamide (CID 15642435) is (2S,3R)-3-hydroxy-N,N,2,3-tetramethylpentanamide.
What is the SMILES notation for (2S,3R)-3-hydroxy-N,N,2,3-tetramethylpentanamide?
The canonical SMILES for (2S,3R)-3-hydroxy-N,N,2,3-tetramethylpentanamide is CC[C@@](C)(O)[C@H](C)C(=O)N(C)C.
What is the InChIKey of (2S,3R)-3-hydroxy-N,N,2,3-tetramethylpentanamide?
The InChIKey is MSAJTQZBGGGJKC-VXNVDRBHSA-N. The full InChI is InChI=1S/C9H19NO2/c1-6-9(3,12)7(2)8(11)10(4)5/h7,12H,6H2,1-5H3/t7-,9-/m1/s1.
What are the key properties of (2S,3R)-3-hydroxy-N,N,2,3-tetramethylpentanamide?
(2S,3R)-3-hydroxy-N,N,2,3-tetramethylpentanamide has a molecular weight of 173.26 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-hydroxy-N,N,2,3-tetramethylpentanamide is sourced from PubChem (CID 15642435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).