2-(2-chloroethylamino)acetic acid

C4H8ClNO2 — CID 19860488

IUPAC2-(2-chloroethylamino)acetic acid
SMILESO=C(O)CNCCCl
InChIInChI=1S/C4H8ClNO2/c5-1-2-6-3-4(7)8/h6H,1-3H2,(H,7,8)
InChIKeyPTNVKOLCKBUGGR-UHFFFAOYSA-N
MW137.57 g/mol
LogP-0.10
Rot. Bonds4

About 2-(2-chloroethylamino)acetic acid

2-(2-chloroethylamino)acetic acid (PubChem CID 19860488) has the molecular formula C4H8ClNO2 and a molecular weight of 137.57 g/mol. Its IUPAC name is 2-(2-chloroethylamino)acetic acid.

Molecular Properties

Compound Name2-(2-chloroethylamino)acetic acid
PubChem CID19860488
Molecular FormulaC4H8ClNO2
Molecular Weight137.57 g/mol
Exact Mass137.02
IUPAC Name2-(2-chloroethylamino)acetic acid
SMILESO=C(O)CNCCCl
InChIInChI=1S/C4H8ClNO2/c5-1-2-6-3-4(7)8/h6H,1-3H2,(H,7,8)
InChIKeyPTNVKOLCKBUGGR-UHFFFAOYSA-N
XLogP-0.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.57
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethylamino)acetic acid?
The IUPAC name of 2-(2-chloroethylamino)acetic acid (CID 19860488) is 2-(2-chloroethylamino)acetic acid.
What is the SMILES notation for 2-(2-chloroethylamino)acetic acid?
The canonical SMILES for 2-(2-chloroethylamino)acetic acid is O=C(O)CNCCCl.
What is the InChIKey of 2-(2-chloroethylamino)acetic acid?
The InChIKey is PTNVKOLCKBUGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8ClNO2/c5-1-2-6-3-4(7)8/h6H,1-3H2,(H,7,8).
What are the key properties of 2-(2-chloroethylamino)acetic acid?
2-(2-chloroethylamino)acetic acid has a molecular weight of 137.57 g/mol, XLogP of -0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethylamino)acetic acid is sourced from PubChem (CID 19860488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).