3-[2-[2-[carboxymethyl(methyl)amino]ethylamino]ethyl-methylamino]propanoic acid

C11H23N3O4 — CID 21107281

IUPAC3-[2-[2-[carboxymethyl(methyl)amino]ethylamino]ethyl-methylamino]propanoic acid
SMILESCN(CCNCCN(C)CC(=O)O)CCC(=O)O
InChIInChI=1S/C11H23N3O4/c1-13(6-3-10(15)16)7-4-12-5-8-14(2)9-11(17)18/h12H,3-9H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyQYYDAFRDLAPWOJ-UHFFFAOYSA-N
MW261.32 g/mol
LogP-1.00
Rot. Bonds11

About 3-[2-[2-[carboxymethyl(methyl)amino]ethylamino]ethyl-methylamino]propanoic acid

3-[2-[2-[carboxymethyl(methyl)amino]ethylamino]ethyl-methylamino]propanoic acid (PubChem CID 21107281) has the molecular formula C11H23N3O4 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-[2-[2-[carboxymethyl(methyl)amino]ethylamino]ethyl-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[2-[2-[carboxymethyl(methyl)amino]ethylamino]ethyl-methylamino]propanoic acid
PubChem CID21107281
Molecular FormulaC11H23N3O4
Molecular Weight261.32 g/mol
Exact Mass261.17
IUPAC Name3-[2-[2-[carboxymethyl(methyl)amino]ethylamino]ethyl-methylamino]propanoic acid
SMILESCN(CCNCCN(C)CC(=O)O)CCC(=O)O
InChIInChI=1S/C11H23N3O4/c1-13(6-3-10(15)16)7-4-12-5-8-14(2)9-11(17)18/h12H,3-9H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyQYYDAFRDLAPWOJ-UHFFFAOYSA-N
XLogP-1.00
TPSA93.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(Carboxymethyl)-beta-alanine
CID 281622
4-(Carboxymethyl)piperazine-2-carboxylic acid
CID 13491863
Edba
CID 164632
N-(2-((1-Carboxyethyl)amino)ethyl)alanine
CID 414433
4-Ethylpiperazine-2-carboxylic acid
CID 17919893
1-Ethylpiperazine-2-carboxylic acid
CID 52911181
(3R)-3-[[(2S)-2-[[(2S)-2-amino-2-carboxyethyl]amino]-2-carboxyethyl]amino]butanoic acid
CID 137637426
Ethylenediamine-N,N'-dipropionic acid
CID 535840
Ethylenediaminediacetic Acid Dipropionic Acid
CID 544630
(2S)-2-amino-3-[[(1S)-1-carboxy-2-[[(1S)-1-carboxyethyl]amino]ethyl]amino]propanoic acid
CID 137643398
3-{[2-(Dimethylamino)ethyl]amino}-2-(methylamino)propanoic acid trihydrochloride
CID 138039817
3-(Diethylamino)alanine
CID 10728321

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[carboxymethyl(methyl)amino]ethylamino]ethyl-methylamino]propanoic acid?
The IUPAC name of 3-[2-[2-[carboxymethyl(methyl)amino]ethylamino]ethyl-methylamino]propanoic acid (CID 21107281) is 3-[2-[2-[carboxymethyl(methyl)amino]ethylamino]ethyl-methylamino]propanoic acid.
What is the SMILES notation for 3-[2-[2-[carboxymethyl(methyl)amino]ethylamino]ethyl-methylamino]propanoic acid?
The canonical SMILES for 3-[2-[2-[carboxymethyl(methyl)amino]ethylamino]ethyl-methylamino]propanoic acid is CN(CCNCCN(C)CC(=O)O)CCC(=O)O.
What is the InChIKey of 3-[2-[2-[carboxymethyl(methyl)amino]ethylamino]ethyl-methylamino]propanoic acid?
The InChIKey is QYYDAFRDLAPWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O4/c1-13(6-3-10(15)16)7-4-12-5-8-14(2)9-11(17)18/h12H,3-9H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 3-[2-[2-[carboxymethyl(methyl)amino]ethylamino]ethyl-methylamino]propanoic acid?
3-[2-[2-[carboxymethyl(methyl)amino]ethylamino]ethyl-methylamino]propanoic acid has a molecular weight of 261.32 g/mol, XLogP of -1.00, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[carboxymethyl(methyl)amino]ethylamino]ethyl-methylamino]propanoic acid is sourced from PubChem (CID 21107281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).