(3R)-4-cyano-2-ethyl-3-hydroxybutanoic acid

C7H11NO3 — CID 87077334

IUPAC(3R)-4-cyano-2-ethyl-3-hydroxybutanoic acid
SMILESCCC(C(=O)O)[C@H](O)CC#N
InChIInChI=1S/C7H11NO3/c1-2-5(7(10)11)6(9)3-4-8/h5-6,9H,2-3H2,1H3,(H,10,11)/t5?,6-/m1/s1
InChIKeyBZTWTXGCHUTWLW-PRJDIBJQSA-N
MW157.17 g/mol
LogP0.37
Rot. Bonds4

About (3R)-4-cyano-2-ethyl-3-hydroxybutanoic acid

(3R)-4-cyano-2-ethyl-3-hydroxybutanoic acid (PubChem CID 87077334) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is (3R)-4-cyano-2-ethyl-3-hydroxybutanoic acid.

Molecular Properties

Compound Name(3R)-4-cyano-2-ethyl-3-hydroxybutanoic acid
PubChem CID87077334
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name(3R)-4-cyano-2-ethyl-3-hydroxybutanoic acid
SMILESCCC(C(=O)O)[C@H](O)CC#N
InChIInChI=1S/C7H11NO3/c1-2-5(7(10)11)6(9)3-4-8/h5-6,9H,2-3H2,1H3,(H,10,11)/t5?,6-/m1/s1
InChIKeyBZTWTXGCHUTWLW-PRJDIBJQSA-N
XLogP0.37
TPSA81.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydroxyhexanenitrile
CID 175092381
(3S)-2-ethyl-3-hydroxypentanedioic acid
CID 87322226
2-ethyl-3-hydroxyoctanoic acid
CID 22508303
acetonitrile;2-methylbutane;propan-2-ol;2,2,2-trifluoroacetic acid
CID 174629924
(2S,3R)-2-ethyl-3-hydroxy-4-methylpentanoic acid
CID 94427029
2,3-diethyl-4-oxopentanoic acid
CID 20649735
2-(1-cyanopropan-2-yl)propanedioic acid
CID 118982124
tert-butyl N-[(2S,3R,4S)-1-cyano-2-hydroxy-4-methylhexan-3-yl]carbamate
CID 10999683
ethyl 2-(cyanomethyl)-3-methylbutanoate
CID 134955615
3,4-dihydroxy-5-oxoheptanedinitrile
CID 59991886
3,4,6-trihydroxy-5-oxohexanenitrile
CID 85320707
(3R,4S)-3,4,6-trihydroxy-5-oxohexanenitrile
CID 10931716

Frequently Asked Questions

What is the IUPAC name of (3R)-4-cyano-2-ethyl-3-hydroxybutanoic acid?
The IUPAC name of (3R)-4-cyano-2-ethyl-3-hydroxybutanoic acid (CID 87077334) is (3R)-4-cyano-2-ethyl-3-hydroxybutanoic acid.
What is the SMILES notation for (3R)-4-cyano-2-ethyl-3-hydroxybutanoic acid?
The canonical SMILES for (3R)-4-cyano-2-ethyl-3-hydroxybutanoic acid is CCC(C(=O)O)[C@H](O)CC#N.
What is the InChIKey of (3R)-4-cyano-2-ethyl-3-hydroxybutanoic acid?
The InChIKey is BZTWTXGCHUTWLW-PRJDIBJQSA-N. The full InChI is InChI=1S/C7H11NO3/c1-2-5(7(10)11)6(9)3-4-8/h5-6,9H,2-3H2,1H3,(H,10,11)/t5?,6-/m1/s1.
What are the key properties of (3R)-4-cyano-2-ethyl-3-hydroxybutanoic acid?
(3R)-4-cyano-2-ethyl-3-hydroxybutanoic acid has a molecular weight of 157.17 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-cyano-2-ethyl-3-hydroxybutanoic acid is sourced from PubChem (CID 87077334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).