2-[2-[carboxymethyl-[2-(methylamino)prop-2-enyl]amino]ethylamino]acetic acid

C10H19N3O4 — CID 89054664

IUPAC2-[2-[carboxymethyl-[2-(methylamino)prop-2-enyl]amino]ethylamino]acetic acid
SMILESC=C(CN(CCNCC(=O)O)CC(=O)O)NC
InChIInChI=1S/C10H19N3O4/c1-8(11-2)6-13(7-10(16)17)4-3-12-5-9(14)15/h11-12H,1,3-7H2,2H3,(H,14,15)(H,16,17)
InChIKeyZTHMIALJYKNVIT-UHFFFAOYSA-N
MW245.28 g/mol
LogP-1.22
Rot. Bonds10

About 2-[2-[carboxymethyl-[2-(methylamino)prop-2-enyl]amino]ethylamino]acetic acid

2-[2-[carboxymethyl-[2-(methylamino)prop-2-enyl]amino]ethylamino]acetic acid (PubChem CID 89054664) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-[2-[carboxymethyl-[2-(methylamino)prop-2-enyl]amino]ethylamino]acetic acid.

Molecular Properties

Compound Name2-[2-[carboxymethyl-[2-(methylamino)prop-2-enyl]amino]ethylamino]acetic acid
PubChem CID89054664
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name2-[2-[carboxymethyl-[2-(methylamino)prop-2-enyl]amino]ethylamino]acetic acid
SMILESC=C(CN(CCNCC(=O)O)CC(=O)O)NC
InChIInChI=1S/C10H19N3O4/c1-8(11-2)6-13(7-10(16)17)4-3-12-5-9(14)15/h11-12H,1,3-7H2,2H3,(H,14,15)(H,16,17)
InChIKeyZTHMIALJYKNVIT-UHFFFAOYSA-N
XLogP-1.22
TPSA101.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-1.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[carboxymethyl-[2-(methylamino)prop-2-enyl]amino]ethylamino]acetic acid?
The IUPAC name of 2-[2-[carboxymethyl-[2-(methylamino)prop-2-enyl]amino]ethylamino]acetic acid (CID 89054664) is 2-[2-[carboxymethyl-[2-(methylamino)prop-2-enyl]amino]ethylamino]acetic acid.
What is the SMILES notation for 2-[2-[carboxymethyl-[2-(methylamino)prop-2-enyl]amino]ethylamino]acetic acid?
The canonical SMILES for 2-[2-[carboxymethyl-[2-(methylamino)prop-2-enyl]amino]ethylamino]acetic acid is C=C(CN(CCNCC(=O)O)CC(=O)O)NC.
What is the InChIKey of 2-[2-[carboxymethyl-[2-(methylamino)prop-2-enyl]amino]ethylamino]acetic acid?
The InChIKey is ZTHMIALJYKNVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-8(11-2)6-13(7-10(16)17)4-3-12-5-9(14)15/h11-12H,1,3-7H2,2H3,(H,14,15)(H,16,17).
What are the key properties of 2-[2-[carboxymethyl-[2-(methylamino)prop-2-enyl]amino]ethylamino]acetic acid?
2-[2-[carboxymethyl-[2-(methylamino)prop-2-enyl]amino]ethylamino]acetic acid has a molecular weight of 245.28 g/mol, XLogP of -1.22, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[carboxymethyl-[2-(methylamino)prop-2-enyl]amino]ethylamino]acetic acid is sourced from PubChem (CID 89054664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).