2-[2-(2-hydroxyprop-2-enylamino)ethylamino]acetic acid

C7H14N2O3 — CID 89408720

IUPAC2-[2-(2-hydroxyprop-2-enylamino)ethylamino]acetic acid
SMILESC=C(O)CNCCNCC(=O)O
InChIInChI=1S/C7H14N2O3/c1-6(10)4-8-2-3-9-5-7(11)12/h8-10H,1-5H2,(H,11,12)
InChIKeyGKOJOMDNOFYMEZ-UHFFFAOYSA-N
MW174.20 g/mol
LogP-0.68
Rot. Bonds7

About 2-[2-(2-hydroxyprop-2-enylamino)ethylamino]acetic acid

2-[2-(2-hydroxyprop-2-enylamino)ethylamino]acetic acid (PubChem CID 89408720) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-[2-(2-hydroxyprop-2-enylamino)ethylamino]acetic acid.

Molecular Properties

Compound Name2-[2-(2-hydroxyprop-2-enylamino)ethylamino]acetic acid
PubChem CID89408720
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name2-[2-(2-hydroxyprop-2-enylamino)ethylamino]acetic acid
SMILESC=C(O)CNCCNCC(=O)O
InChIInChI=1S/C7H14N2O3/c1-6(10)4-8-2-3-9-5-7(11)12/h8-10H,1-5H2,(H,11,12)
InChIKeyGKOJOMDNOFYMEZ-UHFFFAOYSA-N
XLogP-0.68
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(carboxyamino)ethylamino]acetic acid
CID 130335406
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
sodium;2-(carboxymethylamino)acetic acid;hydride
CID 173003718
acetic acid;2-[2-[2-[2-(carboxymethylamino)ethoxy]ethoxy]ethylamino]acetic acid
CID 53400535
sodium 2-(3-hydroxypropylamino)acetic acid
CID 21242628
2-(4-hydroxybutylamino)acetic acid
CID 22121765

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyprop-2-enylamino)ethylamino]acetic acid?
The IUPAC name of 2-[2-(2-hydroxyprop-2-enylamino)ethylamino]acetic acid (CID 89408720) is 2-[2-(2-hydroxyprop-2-enylamino)ethylamino]acetic acid.
What is the SMILES notation for 2-[2-(2-hydroxyprop-2-enylamino)ethylamino]acetic acid?
The canonical SMILES for 2-[2-(2-hydroxyprop-2-enylamino)ethylamino]acetic acid is C=C(O)CNCCNCC(=O)O.
What is the InChIKey of 2-[2-(2-hydroxyprop-2-enylamino)ethylamino]acetic acid?
The InChIKey is GKOJOMDNOFYMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-6(10)4-8-2-3-9-5-7(11)12/h8-10H,1-5H2,(H,11,12).
What are the key properties of 2-[2-(2-hydroxyprop-2-enylamino)ethylamino]acetic acid?
2-[2-(2-hydroxyprop-2-enylamino)ethylamino]acetic acid has a molecular weight of 174.20 g/mol, XLogP of -0.68, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyprop-2-enylamino)ethylamino]acetic acid is sourced from PubChem (CID 89408720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).