2-formamidoacetic acid;hydrochloride

C3H6ClNO3 — CID 174363412

IUPAC2-formamidoacetic acid;hydrochloride
SMILESCl.O=CNCC(=O)O
InChIInChI=1S/C3H5NO3.ClH/c5-2-4-1-3(6)7;/h2H,1H2,(H,4,5)(H,6,7);1H
InChIKeyJKQUYRWUDIWSEI-UHFFFAOYSA-N
MW139.54 g/mol
LogP-0.76
Rot. Bonds3

About 2-formamidoacetic acid;hydrochloride

2-formamidoacetic acid;hydrochloride (PubChem CID 174363412) has the molecular formula C3H6ClNO3 and a molecular weight of 139.54 g/mol. Its IUPAC name is 2-formamidoacetic acid;hydrochloride.

Molecular Properties

Compound Name2-formamidoacetic acid;hydrochloride
PubChem CID174363412
Molecular FormulaC3H6ClNO3
Molecular Weight139.54 g/mol
Exact Mass139.00
IUPAC Name2-formamidoacetic acid;hydrochloride
SMILESCl.O=CNCC(=O)O
InChIInChI=1S/C3H5NO3.ClH/c5-2-4-1-3(6)7;/h2H,1H2,(H,4,5)(H,6,7);1H
InChIKeyJKQUYRWUDIWSEI-UHFFFAOYSA-N
XLogP-0.76
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.54
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-formamidoacetic acid;hydrochloride?
The IUPAC name of 2-formamidoacetic acid;hydrochloride (CID 174363412) is 2-formamidoacetic acid;hydrochloride.
What is the SMILES notation for 2-formamidoacetic acid;hydrochloride?
The canonical SMILES for 2-formamidoacetic acid;hydrochloride is Cl.O=CNCC(=O)O.
What is the InChIKey of 2-formamidoacetic acid;hydrochloride?
The InChIKey is JKQUYRWUDIWSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO3.ClH/c5-2-4-1-3(6)7;/h2H,1H2,(H,4,5)(H,6,7);1H.
What are the key properties of 2-formamidoacetic acid;hydrochloride?
2-formamidoacetic acid;hydrochloride has a molecular weight of 139.54 g/mol, XLogP of -0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formamidoacetic acid;hydrochloride is sourced from PubChem (CID 174363412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).