1-cyclopropylethyl (2S)-2-hydroxypropanoate

C8H14O3 — CID 131206662

IUPAC1-cyclopropylethyl (2S)-2-hydroxypropanoate
SMILESCC(OC(=O)[C@H](C)O)C1CC1
InChIInChI=1S/C8H14O3/c1-5(9)8(10)11-6(2)7-3-4-7/h5-7,9H,3-4H2,1-2H3/t5-,6?/m0/s1
InChIKeyYAUFYIZZAIEKDH-ZBHICJROSA-N
MW158.20 g/mol
LogP0.71
Rot. Bonds3

About 1-cyclopropylethyl (2S)-2-hydroxypropanoate

1-cyclopropylethyl (2S)-2-hydroxypropanoate (PubChem CID 131206662) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 1-cyclopropylethyl (2S)-2-hydroxypropanoate.

Molecular Properties

Compound Name1-cyclopropylethyl (2S)-2-hydroxypropanoate
PubChem CID131206662
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name1-cyclopropylethyl (2S)-2-hydroxypropanoate
SMILESCC(OC(=O)[C@H](C)O)C1CC1
InChIInChI=1S/C8H14O3/c1-5(9)8(10)11-6(2)7-3-4-7/h5-7,9H,3-4H2,1-2H3/t5-,6?/m0/s1
InChIKeyYAUFYIZZAIEKDH-ZBHICJROSA-N
XLogP0.71
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S)-1-cyclopropylethyl] (2R)-2-hydroxypropanoate
CID 131227735
4-(1-cyclopropylethoxy)-4-oxobut-2-enoic acid
CID 171145916
1-cyclohexylethyl (2S)-2-aminopropanoate
CID 165176376
1-cyclopropylethyl ethyl carbonate
CID 173016533
[(2R)-3-methylbutan-2-yl] (2R)-2-hydroxypropanoate
CID 171574297
1-chloroethyl 2-hydroxypropanoate
CID 151805922
1-cyclopentylethyl acetate
CID 12705472
2-methylpropan-1-ol;propan-2-yl 2-hydroxypropanoate;titanium
CID 177415115
2-[(2R)-2-hydroxypropanoyl]oxypropanoic acid
CID 54178313
(2S)-2-[(2S)-2-hydroxypropanoyl]oxypropanoic acid
CID 139060964
[(2R)-1-hydroxypropan-2-yl] (2S)-2-hydroxypropanoate
CID 167060953
1-cyclohexylethyl 2-amino-2-methylpropanoate
CID 175898989

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylethyl (2S)-2-hydroxypropanoate?
The IUPAC name of 1-cyclopropylethyl (2S)-2-hydroxypropanoate (CID 131206662) is 1-cyclopropylethyl (2S)-2-hydroxypropanoate.
What is the SMILES notation for 1-cyclopropylethyl (2S)-2-hydroxypropanoate?
The canonical SMILES for 1-cyclopropylethyl (2S)-2-hydroxypropanoate is CC(OC(=O)[C@H](C)O)C1CC1.
What is the InChIKey of 1-cyclopropylethyl (2S)-2-hydroxypropanoate?
The InChIKey is YAUFYIZZAIEKDH-ZBHICJROSA-N. The full InChI is InChI=1S/C8H14O3/c1-5(9)8(10)11-6(2)7-3-4-7/h5-7,9H,3-4H2,1-2H3/t5-,6?/m0/s1.
What are the key properties of 1-cyclopropylethyl (2S)-2-hydroxypropanoate?
1-cyclopropylethyl (2S)-2-hydroxypropanoate has a molecular weight of 158.20 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylethyl (2S)-2-hydroxypropanoate is sourced from PubChem (CID 131206662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).