ethyl (4S)-3,4-dihydroxypentanoate

C7H14O4 — CID 156690497

IUPACethyl (4S)-3,4-dihydroxypentanoate
SMILESCCOC(=O)CC(O)[C@H](C)O
InChIInChI=1S/C7H14O4/c1-3-11-7(10)4-6(9)5(2)8/h5-6,8-9H,3-4H2,1-2H3/t5-,6?/m0/s1
InChIKeyLOLSGMPSRRVMJD-ZBHICJROSA-N
MW162.18 g/mol
LogP-0.32
Rot. Bonds4

About ethyl (4S)-3,4-dihydroxypentanoate

ethyl (4S)-3,4-dihydroxypentanoate (PubChem CID 156690497) has the molecular formula C7H14O4 and a molecular weight of 162.18 g/mol. Its IUPAC name is ethyl (4S)-3,4-dihydroxypentanoate.

Molecular Properties

Compound Nameethyl (4S)-3,4-dihydroxypentanoate
PubChem CID156690497
Molecular FormulaC7H14O4
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Nameethyl (4S)-3,4-dihydroxypentanoate
SMILESCCOC(=O)CC(O)[C@H](C)O
InChIInChI=1S/C7H14O4/c1-3-11-7(10)4-6(9)5(2)8/h5-6,8-9H,3-4H2,1-2H3/t5-,6?/m0/s1
InChIKeyLOLSGMPSRRVMJD-ZBHICJROSA-N
XLogP-0.32
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

diethyl 3-hydroxy-2-methylpentanedioate
CID 22022909
ethyl 4-amino-3-hydroxy-5-methylhexanoate
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ethyl (3R,4S)-3-chloro-4-hydroxypentanoate
CID 15936348
ethyl 3-[hydroxy(methyl)amino]butanoate
CID 131856293
ethyl (3R)-3-methylpentanoate
CID 7567160
ethyl 6-amino-3,4-dimethyl-6-oxohexanoate
CID 59188853
ethyl (3R)-3-methyl-4-oxopentanoate
CID 14870757
diethyl (2S)-2-bromobutanedioate
CID 10422366
ethyl 3-(dimethylamino)butanoate
CID 3020377
ethyl 3-[(4-ethoxy-4-oxobutan-2-yl)amino]butanoate
CID 121011286
ethyl 3-(1-hydroxyethyl)heptanoate
CID 154713788
ethyl 3-cyclopropylbutanoate
CID 47078610

Frequently Asked Questions

What is the IUPAC name of ethyl (4S)-3,4-dihydroxypentanoate?
The IUPAC name of ethyl (4S)-3,4-dihydroxypentanoate (CID 156690497) is ethyl (4S)-3,4-dihydroxypentanoate.
What is the SMILES notation for ethyl (4S)-3,4-dihydroxypentanoate?
The canonical SMILES for ethyl (4S)-3,4-dihydroxypentanoate is CCOC(=O)CC(O)[C@H](C)O.
What is the InChIKey of ethyl (4S)-3,4-dihydroxypentanoate?
The InChIKey is LOLSGMPSRRVMJD-ZBHICJROSA-N. The full InChI is InChI=1S/C7H14O4/c1-3-11-7(10)4-6(9)5(2)8/h5-6,8-9H,3-4H2,1-2H3/t5-,6?/m0/s1.
What are the key properties of ethyl (4S)-3,4-dihydroxypentanoate?
ethyl (4S)-3,4-dihydroxypentanoate has a molecular weight of 162.18 g/mol, XLogP of -0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4S)-3,4-dihydroxypentanoate is sourced from PubChem (CID 156690497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).