(2S)-5-cyano-2-hydroxypentanoic acid

C6H9NO3 — CID 55303670

IUPAC(2S)-5-cyano-2-hydroxypentanoic acid
SMILESN#CCCC[C@H](O)C(=O)O
InChIInChI=1S/C6H9NO3/c7-4-2-1-3-5(8)6(9)10/h5,8H,1-3H2,(H,9,10)/t5-/m0/s1
InChIKeyLRTGDTQQWORJFG-YFKPBYRVSA-N
MW143.14 g/mol
LogP0.13
Rot. Bonds4

About (2S)-5-cyano-2-hydroxypentanoic acid

(2S)-5-cyano-2-hydroxypentanoic acid (PubChem CID 55303670) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is (2S)-5-cyano-2-hydroxypentanoic acid.

Molecular Properties

Compound Name(2S)-5-cyano-2-hydroxypentanoic acid
PubChem CID55303670
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name(2S)-5-cyano-2-hydroxypentanoic acid
SMILESN#CCCC[C@H](O)C(=O)O
InChIInChI=1S/C6H9NO3/c7-4-2-1-3-5(8)6(9)10/h5,8H,1-3H2,(H,9,10)/t5-/m0/s1
InChIKeyLRTGDTQQWORJFG-YFKPBYRVSA-N
XLogP0.13
TPSA81.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,6,6-trihydroxyhexanoic acid
CID 141129041
(2R)-2-hydroxyhexanoic acid
CID 6995511
2-hydroxyheptanoic acid
CID 2750949
2,10-dihydroxydecanoic acid
CID 23158566
carbonic acid;2-hydroxyhexanoic acid
CID 160541051
ethane;2-hydroxyhexanoic acid
CID 20976061
6-amino-2-hydroxyhexanoic acid
CID 517029
copper;2-hydroxy-5-sulfanylpentanoic acid
CID 87839246
2-hydroxyheptanedioic acid
CID 160889869
(2R)-2-hydroxypentanedioic acid;hydrate
CID 141372843
2-hydroxyoctadecanoic acid
CID 87724091
2-hydroxynonanedioic acid
CID 12760708

Frequently Asked Questions

What is the IUPAC name of (2S)-5-cyano-2-hydroxypentanoic acid?
The IUPAC name of (2S)-5-cyano-2-hydroxypentanoic acid (CID 55303670) is (2S)-5-cyano-2-hydroxypentanoic acid.
What is the SMILES notation for (2S)-5-cyano-2-hydroxypentanoic acid?
The canonical SMILES for (2S)-5-cyano-2-hydroxypentanoic acid is N#CCCC[C@H](O)C(=O)O.
What is the InChIKey of (2S)-5-cyano-2-hydroxypentanoic acid?
The InChIKey is LRTGDTQQWORJFG-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H9NO3/c7-4-2-1-3-5(8)6(9)10/h5,8H,1-3H2,(H,9,10)/t5-/m0/s1.
What are the key properties of (2S)-5-cyano-2-hydroxypentanoic acid?
(2S)-5-cyano-2-hydroxypentanoic acid has a molecular weight of 143.14 g/mol, XLogP of 0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-cyano-2-hydroxypentanoic acid is sourced from PubChem (CID 55303670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).