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

C10H20N2O3 — CID 87074745

IUPAC2-[2-hydroxyethyl-[3-(prop-2-enylamino)propyl]amino]acetic acid
SMILESC=CCNCCCN(CCO)CC(=O)O
InChIInChI=1S/C10H20N2O3/c1-2-4-11-5-3-6-12(7-8-13)9-10(14)15/h2,11,13H,1,3-9H2,(H,14,15)
InChIKeyIPXYMUVKEAGZKP-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.47
Rot. Bonds10

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

2-[2-hydroxyethyl-[3-(prop-2-enylamino)propyl]amino]acetic acid (PubChem CID 87074745) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-[2-hydroxyethyl-[3-(prop-2-enylamino)propyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-hydroxyethyl-[3-(prop-2-enylamino)propyl]amino]acetic acid
PubChem CID87074745
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name2-[2-hydroxyethyl-[3-(prop-2-enylamino)propyl]amino]acetic acid
SMILESC=CCNCCCN(CCO)CC(=O)O
InChIInChI=1S/C10H20N2O3/c1-2-4-11-5-3-6-12(7-8-13)9-10(14)15/h2,11,13H,1,3-9H2,(H,14,15)
InChIKeyIPXYMUVKEAGZKP-UHFFFAOYSA-N
XLogP-0.47
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl-[3-(prop-2-enylamino)propyl]amino]acetic acid?
The IUPAC name of 2-[2-hydroxyethyl-[3-(prop-2-enylamino)propyl]amino]acetic acid (CID 87074745) is 2-[2-hydroxyethyl-[3-(prop-2-enylamino)propyl]amino]acetic acid.
What is the SMILES notation for 2-[2-hydroxyethyl-[3-(prop-2-enylamino)propyl]amino]acetic acid?
The canonical SMILES for 2-[2-hydroxyethyl-[3-(prop-2-enylamino)propyl]amino]acetic acid is C=CCNCCCN(CCO)CC(=O)O.
What is the InChIKey of 2-[2-hydroxyethyl-[3-(prop-2-enylamino)propyl]amino]acetic acid?
The InChIKey is IPXYMUVKEAGZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-2-4-11-5-3-6-12(7-8-13)9-10(14)15/h2,11,13H,1,3-9H2,(H,14,15).
What are the key properties of 2-[2-hydroxyethyl-[3-(prop-2-enylamino)propyl]amino]acetic acid?
2-[2-hydroxyethyl-[3-(prop-2-enylamino)propyl]amino]acetic acid has a molecular weight of 216.28 g/mol, XLogP of -0.47, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl-[3-(prop-2-enylamino)propyl]amino]acetic acid is sourced from PubChem (CID 87074745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).