(2S)-2-(2-chloroethoxy)butanoic acid

C6H11ClO3 — CID 97304350

IUPAC(2S)-2-(2-chloroethoxy)butanoic acid
SMILESCC[C@H](OCCCl)C(=O)O
InChIInChI=1S/C6H11ClO3/c1-2-5(6(8)9)10-4-3-7/h5H,2-4H2,1H3,(H,8,9)/t5-/m0/s1
InChIKeyMVQKZXAAAZBQPV-YFKPBYRVSA-N
MW166.60 g/mol
LogP1.11
Rot. Bonds5

About (2S)-2-(2-chloroethoxy)butanoic acid

(2S)-2-(2-chloroethoxy)butanoic acid (PubChem CID 97304350) has the molecular formula C6H11ClO3 and a molecular weight of 166.60 g/mol. Its IUPAC name is (2S)-2-(2-chloroethoxy)butanoic acid.

Molecular Properties

Compound Name(2S)-2-(2-chloroethoxy)butanoic acid
PubChem CID97304350
Molecular FormulaC6H11ClO3
Molecular Weight166.60 g/mol
Exact Mass166.04
IUPAC Name(2S)-2-(2-chloroethoxy)butanoic acid
SMILESCC[C@H](OCCCl)C(=O)O
InChIInChI=1S/C6H11ClO3/c1-2-5(6(8)9)10-4-3-7/h5H,2-4H2,1H3,(H,8,9)/t5-/m0/s1
InChIKeyMVQKZXAAAZBQPV-YFKPBYRVSA-N
XLogP1.11
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.60
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-methoxyethoxy)ethoxy]butanoic acid
CID 18318696
2-[2-(2-methylpropoxy)ethoxy]butanoic acid
CID 106446603
2-(5-aminopentoxy)butanoic acid
CID 82352847
3-hydroxy-2-propoxypropanoic acid
CID 87915368
2-non-3-ynoxybutanoic acid
CID 175496294
2-[2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethoxy]butanoic acid
CID 155251143
2-(cyclopentylmethoxy)butanoic acid
CID 66324485
2-(2-aminobutoxy)butanoic acid
CID 82352925
2-tetradec-6-enoxybutanoic acid
CID 90725661
2-(2-ethoxyethoxy)pentanoic acid
CID 83037428
2-[(5Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]butanoic acid
CID 118643971
2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]butanoic acid
CID 78210211

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chloroethoxy)butanoic acid?
The IUPAC name of (2S)-2-(2-chloroethoxy)butanoic acid (CID 97304350) is (2S)-2-(2-chloroethoxy)butanoic acid.
What is the SMILES notation for (2S)-2-(2-chloroethoxy)butanoic acid?
The canonical SMILES for (2S)-2-(2-chloroethoxy)butanoic acid is CC[C@H](OCCCl)C(=O)O.
What is the InChIKey of (2S)-2-(2-chloroethoxy)butanoic acid?
The InChIKey is MVQKZXAAAZBQPV-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H11ClO3/c1-2-5(6(8)9)10-4-3-7/h5H,2-4H2,1H3,(H,8,9)/t5-/m0/s1.
What are the key properties of (2S)-2-(2-chloroethoxy)butanoic acid?
(2S)-2-(2-chloroethoxy)butanoic acid has a molecular weight of 166.60 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chloroethoxy)butanoic acid is sourced from PubChem (CID 97304350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).