2-[2-(carboxyamino)ethylamino]acetic acid

C5H10N2O4 — CID 130335406

IUPAC2-[2-(carboxyamino)ethylamino]acetic acid
SMILESO=C(O)CNCCNC(=O)O
InChIInChI=1S/C5H10N2O4/c8-4(9)3-6-1-2-7-5(10)11/h6-7H,1-3H2,(H,8,9)(H,10,11)
InChIKeyAQSDWYQWSHMWIN-UHFFFAOYSA-N
MW162.14 g/mol
LogP-1.07
Rot. Bonds5

About 2-[2-(carboxyamino)ethylamino]acetic acid

2-[2-(carboxyamino)ethylamino]acetic acid (PubChem CID 130335406) has the molecular formula C5H10N2O4 and a molecular weight of 162.14 g/mol. Its IUPAC name is 2-[2-(carboxyamino)ethylamino]acetic acid.

Molecular Properties

Compound Name2-[2-(carboxyamino)ethylamino]acetic acid
PubChem CID130335406
Molecular FormulaC5H10N2O4
Molecular Weight162.14 g/mol
Exact Mass162.06
IUPAC Name2-[2-(carboxyamino)ethylamino]acetic acid
SMILESO=C(O)CNCCNC(=O)O
InChIInChI=1S/C5H10N2O4/c8-4(9)3-6-1-2-7-5(10)11/h6-7H,1-3H2,(H,8,9)(H,10,11)
InChIKeyAQSDWYQWSHMWIN-UHFFFAOYSA-N
XLogP-1.07
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 5-1.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-hydroxyprop-2-enylamino)ethylamino]acetic acid
CID 89408720
2-(carboxymethylamino)acetic acid
CID 8897
2-(2-hydroxyethylamino)acetic acid;phosphane
CID 174633538
sodium 2-(2-hydroxyethylamino)acetic acid
CID 22056559
2-(2-chloroethylamino)acetic acid
CID 19860488
3-(carboxymethylamino)propanoic acid;ethane
CID 143762125
2-(carboxymethylamino)acetic acid;cobalt
CID 87306494
2-[2-[1-(butylamino)ethenylamino]ethylamino]acetic acid
CID 126658440
2-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]ethylamino]acetic acid
CID 89108194
2-(2-methylpropylamino)ethylcarbamic acid
CID 90802590
sodium;2-(carboxymethylamino)acetic acid;hydride
CID 173003718
2-(but-3-enylamino)ethylcarbamic acid
CID 154941093

Frequently Asked Questions

What is the IUPAC name of 2-[2-(carboxyamino)ethylamino]acetic acid?
The IUPAC name of 2-[2-(carboxyamino)ethylamino]acetic acid (CID 130335406) is 2-[2-(carboxyamino)ethylamino]acetic acid.
What is the SMILES notation for 2-[2-(carboxyamino)ethylamino]acetic acid?
The canonical SMILES for 2-[2-(carboxyamino)ethylamino]acetic acid is O=C(O)CNCCNC(=O)O.
What is the InChIKey of 2-[2-(carboxyamino)ethylamino]acetic acid?
The InChIKey is AQSDWYQWSHMWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O4/c8-4(9)3-6-1-2-7-5(10)11/h6-7H,1-3H2,(H,8,9)(H,10,11).
What are the key properties of 2-[2-(carboxyamino)ethylamino]acetic acid?
2-[2-(carboxyamino)ethylamino]acetic acid has a molecular weight of 162.14 g/mol, XLogP of -1.07, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(carboxyamino)ethylamino]acetic acid is sourced from PubChem (CID 130335406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).