2-(carboxymethylamino)acetic acid;hydrochloride

C4H8ClNO4 — CID 520358

IUPAC2-(carboxymethylamino)acetic acid;hydrochloride
SMILESCl.O=C(O)CNCC(=O)O
InChIInChI=1S/C4H7NO4.ClH/c6-3(7)1-5-2-4(8)9;/h5H,1-2H2,(H,6,7)(H,8,9);1H
InChIKeyKKHJQZVEUKJURX-UHFFFAOYSA-N
MW169.56 g/mol
LogP-0.83
Rot. Bonds4

About 2-(carboxymethylamino)acetic acid;hydrochloride

2-(carboxymethylamino)acetic acid;hydrochloride (PubChem CID 520358) has the molecular formula C4H8ClNO4 and a molecular weight of 169.56 g/mol. Its IUPAC name is 2-(carboxymethylamino)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(carboxymethylamino)acetic acid;hydrochloride
PubChem CID520358
Molecular FormulaC4H8ClNO4
Molecular Weight169.56 g/mol
Exact Mass169.01
IUPAC Name2-(carboxymethylamino)acetic acid;hydrochloride
SMILESCl.O=C(O)CNCC(=O)O
InChIInChI=1S/C4H7NO4.ClH/c6-3(7)1-5-2-4(8)9;/h5H,1-2H2,(H,6,7)(H,8,9);1H
InChIKeyKKHJQZVEUKJURX-UHFFFAOYSA-N
XLogP-0.83
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.56
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(carboxymethylamino)acetic acid;hydrochloride?
The IUPAC name of 2-(carboxymethylamino)acetic acid;hydrochloride (CID 520358) is 2-(carboxymethylamino)acetic acid;hydrochloride.
What is the SMILES notation for 2-(carboxymethylamino)acetic acid;hydrochloride?
The canonical SMILES for 2-(carboxymethylamino)acetic acid;hydrochloride is Cl.O=C(O)CNCC(=O)O.
What is the InChIKey of 2-(carboxymethylamino)acetic acid;hydrochloride?
The InChIKey is KKHJQZVEUKJURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO4.ClH/c6-3(7)1-5-2-4(8)9;/h5H,1-2H2,(H,6,7)(H,8,9);1H.
What are the key properties of 2-(carboxymethylamino)acetic acid;hydrochloride?
2-(carboxymethylamino)acetic acid;hydrochloride has a molecular weight of 169.56 g/mol, XLogP of -0.83, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carboxymethylamino)acetic acid;hydrochloride is sourced from PubChem (CID 520358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).