2-(carboxymethoxy)acetic acid;hydrochloride

C4H7ClO5 — CID 174705448

IUPAC2-(carboxymethoxy)acetic acid;hydrochloride
SMILESCl.O=C(O)COCC(=O)O
InChIInChI=1S/C4H6O5.ClH/c5-3(6)1-9-2-4(7)8;/h1-2H2,(H,5,6)(H,7,8);1H
InChIKeyXGFJCGCTRCXOHA-UHFFFAOYSA-N
MW170.55 g/mol
LogP-0.41
Rot. Bonds4

About 2-(carboxymethoxy)acetic acid;hydrochloride

2-(carboxymethoxy)acetic acid;hydrochloride (PubChem CID 174705448) has the molecular formula C4H7ClO5 and a molecular weight of 170.55 g/mol. Its IUPAC name is 2-(carboxymethoxy)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(carboxymethoxy)acetic acid;hydrochloride
PubChem CID174705448
Molecular FormulaC4H7ClO5
Molecular Weight170.55 g/mol
Exact Mass170.00
IUPAC Name2-(carboxymethoxy)acetic acid;hydrochloride
SMILESCl.O=C(O)COCC(=O)O
InChIInChI=1S/C4H6O5.ClH/c5-3(6)1-9-2-4(7)8;/h1-2H2,(H,5,6)(H,7,8);1H
InChIKeyXGFJCGCTRCXOHA-UHFFFAOYSA-N
XLogP-0.41
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.55
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(carboxymethoxy)acetic acid;hydrochloride?
The IUPAC name of 2-(carboxymethoxy)acetic acid;hydrochloride (CID 174705448) is 2-(carboxymethoxy)acetic acid;hydrochloride.
What is the SMILES notation for 2-(carboxymethoxy)acetic acid;hydrochloride?
The canonical SMILES for 2-(carboxymethoxy)acetic acid;hydrochloride is Cl.O=C(O)COCC(=O)O.
What is the InChIKey of 2-(carboxymethoxy)acetic acid;hydrochloride?
The InChIKey is XGFJCGCTRCXOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O5.ClH/c5-3(6)1-9-2-4(7)8;/h1-2H2,(H,5,6)(H,7,8);1H.
What are the key properties of 2-(carboxymethoxy)acetic acid;hydrochloride?
2-(carboxymethoxy)acetic acid;hydrochloride has a molecular weight of 170.55 g/mol, XLogP of -0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carboxymethoxy)acetic acid;hydrochloride is sourced from PubChem (CID 174705448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).