(3R)-3,5-dihydroxy-N,N,3-trimethylpentanamide

C8H17NO3 — CID 87266925

IUPAC(3R)-3,5-dihydroxy-N,N,3-trimethylpentanamide
SMILESCN(C)C(=O)C[C@](C)(O)CCO
InChIInChI=1S/C8H17NO3/c1-8(12,4-5-10)6-7(11)9(2)3/h10,12H,4-6H2,1-3H3/t8-/m1/s1
InChIKeyXYVNRTKEDYOSIW-MRVPVSSYSA-N
MW175.23 g/mol
LogP-0.40
Rot. Bonds4

About (3R)-3,5-dihydroxy-N,N,3-trimethylpentanamide

(3R)-3,5-dihydroxy-N,N,3-trimethylpentanamide (PubChem CID 87266925) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is (3R)-3,5-dihydroxy-N,N,3-trimethylpentanamide.

Molecular Properties

Compound Name(3R)-3,5-dihydroxy-N,N,3-trimethylpentanamide
PubChem CID87266925
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name(3R)-3,5-dihydroxy-N,N,3-trimethylpentanamide
SMILESCN(C)C(=O)C[C@](C)(O)CCO
InChIInChI=1S/C8H17NO3/c1-8(12,4-5-10)6-7(11)9(2)3/h10,12H,4-6H2,1-3H3/t8-/m1/s1
InChIKeyXYVNRTKEDYOSIW-MRVPVSSYSA-N
XLogP-0.40
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dihydroxy-3-methylpentanoic acid;ethene
CID 174870453
acetic acid;3,5-dihydroxy-3-methylpentanoic acid
CID 175134746
(4S)-1-bromo-4,6-dihydroxy-4-methylhexan-2-one
CID 14831813
3,5-dihydroxy-3-methylpentanoate;tetramethylazanium
CID 175459408
N,N,3-trimethyl-3-sulfanylbutanamide
CID 90216913
3,3-difluoro-N,N-dimethylbutanamide
CID 130667654
3-hydroxy-N,N,3-trimethyl-4-phenylbutanamide
CID 102147663
(3R)-3,5-dimethylhex-5-ene-1,3-diol
CID 14831815
N,N,3,3-tetramethylpentanamide
CID 23394541
ethyl 4-(dimethylamino)-2-hydroxy-2-methyl-4-oxobutanoate
CID 87491131
N,N,3,3-tetramethylpent-4-enamide
CID 13020109
(3S)-3,5-dihydroxy-3-methylpentanal
CID 131159898

Frequently Asked Questions

What is the IUPAC name of (3R)-3,5-dihydroxy-N,N,3-trimethylpentanamide?
The IUPAC name of (3R)-3,5-dihydroxy-N,N,3-trimethylpentanamide (CID 87266925) is (3R)-3,5-dihydroxy-N,N,3-trimethylpentanamide.
What is the SMILES notation for (3R)-3,5-dihydroxy-N,N,3-trimethylpentanamide?
The canonical SMILES for (3R)-3,5-dihydroxy-N,N,3-trimethylpentanamide is CN(C)C(=O)C[C@](C)(O)CCO.
What is the InChIKey of (3R)-3,5-dihydroxy-N,N,3-trimethylpentanamide?
The InChIKey is XYVNRTKEDYOSIW-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-8(12,4-5-10)6-7(11)9(2)3/h10,12H,4-6H2,1-3H3/t8-/m1/s1.
What are the key properties of (3R)-3,5-dihydroxy-N,N,3-trimethylpentanamide?
(3R)-3,5-dihydroxy-N,N,3-trimethylpentanamide has a molecular weight of 175.23 g/mol, XLogP of -0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3,5-dihydroxy-N,N,3-trimethylpentanamide is sourced from PubChem (CID 87266925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).