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

C9H19N3O2 — CID 87553319

IUPAC2-[2-[2-(prop-2-enylamino)ethylamino]ethylamino]acetic acid
SMILESC=CCNCCNCCNCC(=O)O
InChIInChI=1S/C9H19N3O2/c1-2-3-10-4-5-11-6-7-12-8-9(13)14/h2,10-12H,1,3-8H2,(H,13,14)
InChIKeyWTPDYAZUCCYTKQ-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.97
Rot. Bonds10

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

2-[2-[2-(prop-2-enylamino)ethylamino]ethylamino]acetic acid (PubChem CID 87553319) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-[2-[2-(prop-2-enylamino)ethylamino]ethylamino]acetic acid.

Molecular Properties

Compound Name2-[2-[2-(prop-2-enylamino)ethylamino]ethylamino]acetic acid
PubChem CID87553319
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name2-[2-[2-(prop-2-enylamino)ethylamino]ethylamino]acetic acid
SMILESC=CCNCCNCCNCC(=O)O
InChIInChI=1S/C9H19N3O2/c1-2-3-10-4-5-11-6-7-12-8-9(13)14/h2,10-12H,1,3-8H2,(H,13,14)
InChIKeyWTPDYAZUCCYTKQ-UHFFFAOYSA-N
XLogP-0.97
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-Allylglycine
CID 76651
CID 36690796
CID 36690796
Diallylammonioethanoate
CID 42232764
N-But-2-en-1-ylglycine
CID 53407996
cis-Crotylglycine
CID 87168838
Allylglycin-hydrobromid
CID 129648695
Carboxymethyl(prop-2-enyl)azanium
CID 134844890
2-(Allylamino)acetic acid hydrochloride
CID 19364742
Crotyl glycine
CID 19364762
2-[Bis[bis(prop-2-enyl)amino]phosphinothioylmethylamino]acetic acid
CID 20211513
[2-(Prop-2-enylamino)acetyl] 2-(prop-2-enylamino)acetate
CID 22377220
3-Amino-2-(prop-2-enylamino)propanoic acid
CID 65815460

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(prop-2-enylamino)ethylamino]ethylamino]acetic acid?
The IUPAC name of 2-[2-[2-(prop-2-enylamino)ethylamino]ethylamino]acetic acid (CID 87553319) is 2-[2-[2-(prop-2-enylamino)ethylamino]ethylamino]acetic acid.
What is the SMILES notation for 2-[2-[2-(prop-2-enylamino)ethylamino]ethylamino]acetic acid?
The canonical SMILES for 2-[2-[2-(prop-2-enylamino)ethylamino]ethylamino]acetic acid is C=CCNCCNCCNCC(=O)O.
What is the InChIKey of 2-[2-[2-(prop-2-enylamino)ethylamino]ethylamino]acetic acid?
The InChIKey is WTPDYAZUCCYTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-2-3-10-4-5-11-6-7-12-8-9(13)14/h2,10-12H,1,3-8H2,(H,13,14).
What are the key properties of 2-[2-[2-(prop-2-enylamino)ethylamino]ethylamino]acetic acid?
2-[2-[2-(prop-2-enylamino)ethylamino]ethylamino]acetic acid has a molecular weight of 201.27 g/mol, XLogP of -0.97, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(prop-2-enylamino)ethylamino]ethylamino]acetic acid is sourced from PubChem (CID 87553319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).