2-[ethyl-[3-(prop-2-enylamino)propyl]amino]acetic acid

C10H20N2O2 — CID 87168080

IUPAC2-[ethyl-[3-(prop-2-enylamino)propyl]amino]acetic acid
SMILESC=CCNCCCN(CC)CC(=O)O
InChIInChI=1S/C10H20N2O2/c1-3-6-11-7-5-8-12(4-2)9-10(13)14/h3,11H,1,4-9H2,2H3,(H,13,14)
InChIKeyYLNJORMDSGTZQF-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.56
Rot. Bonds9

About 2-[ethyl-[3-(prop-2-enylamino)propyl]amino]acetic acid

2-[ethyl-[3-(prop-2-enylamino)propyl]amino]acetic acid (PubChem CID 87168080) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-[ethyl-[3-(prop-2-enylamino)propyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[3-(prop-2-enylamino)propyl]amino]acetic acid
PubChem CID87168080
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name2-[ethyl-[3-(prop-2-enylamino)propyl]amino]acetic acid
SMILESC=CCNCCCN(CC)CC(=O)O
InChIInChI=1S/C10H20N2O2/c1-3-6-11-7-5-8-12(4-2)9-10(13)14/h3,11H,1,4-9H2,2H3,(H,13,14)
InChIKeyYLNJORMDSGTZQF-UHFFFAOYSA-N
XLogP0.56
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[3-(prop-2-enylamino)propyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[3-(prop-2-enylamino)propyl]amino]acetic acid (CID 87168080) is 2-[ethyl-[3-(prop-2-enylamino)propyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[3-(prop-2-enylamino)propyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[3-(prop-2-enylamino)propyl]amino]acetic acid is C=CCNCCCN(CC)CC(=O)O.
What is the InChIKey of 2-[ethyl-[3-(prop-2-enylamino)propyl]amino]acetic acid?
The InChIKey is YLNJORMDSGTZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-3-6-11-7-5-8-12(4-2)9-10(13)14/h3,11H,1,4-9H2,2H3,(H,13,14).
What are the key properties of 2-[ethyl-[3-(prop-2-enylamino)propyl]amino]acetic acid?
2-[ethyl-[3-(prop-2-enylamino)propyl]amino]acetic acid has a molecular weight of 200.28 g/mol, XLogP of 0.56, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[3-(prop-2-enylamino)propyl]amino]acetic acid is sourced from PubChem (CID 87168080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).