2-[1-hydroxyethyl(propyl)amino]acetic acid;prop-2-en-1-amine

C10H22N2O3 — CID 87059683

IUPAC2-[1-hydroxyethyl(propyl)amino]acetic acid;prop-2-en-1-amine
SMILESC=CCN.CCCN(CC(=O)O)C(C)O
InChIInChI=1S/C7H15NO3.C3H7N/c1-3-4-8(6(2)9)5-7(10)11;1-2-3-4/h6,9H,3-5H2,1-2H3,(H,10,11);2H,1,3-4H2
InChIKeyBCKFKSAORLSYGN-UHFFFAOYSA-N
MW218.30 g/mol
LogP0.25
Rot. Bonds6

About 2-[1-hydroxyethyl(propyl)amino]acetic acid;prop-2-en-1-amine

2-[1-hydroxyethyl(propyl)amino]acetic acid;prop-2-en-1-amine (PubChem CID 87059683) has the molecular formula C10H22N2O3 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-[1-hydroxyethyl(propyl)amino]acetic acid;prop-2-en-1-amine.

Molecular Properties

Compound Name2-[1-hydroxyethyl(propyl)amino]acetic acid;prop-2-en-1-amine
PubChem CID87059683
Molecular FormulaC10H22N2O3
Molecular Weight218.30 g/mol
Exact Mass218.16
IUPAC Name2-[1-hydroxyethyl(propyl)amino]acetic acid;prop-2-en-1-amine
SMILESC=CCN.CCCN(CC(=O)O)C(C)O
InChIInChI=1S/C7H15NO3.C3H7N/c1-3-4-8(6(2)9)5-7(10)11;1-2-3-4/h6,9H,3-5H2,1-2H3,(H,10,11);2H,1,3-4H2
InChIKeyBCKFKSAORLSYGN-UHFFFAOYSA-N
XLogP0.25
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-hydroxyethyl(propyl)amino]acetic acid;prop-2-en-1-amine?
The IUPAC name of 2-[1-hydroxyethyl(propyl)amino]acetic acid;prop-2-en-1-amine (CID 87059683) is 2-[1-hydroxyethyl(propyl)amino]acetic acid;prop-2-en-1-amine.
What is the SMILES notation for 2-[1-hydroxyethyl(propyl)amino]acetic acid;prop-2-en-1-amine?
The canonical SMILES for 2-[1-hydroxyethyl(propyl)amino]acetic acid;prop-2-en-1-amine is C=CCN.CCCN(CC(=O)O)C(C)O.
What is the InChIKey of 2-[1-hydroxyethyl(propyl)amino]acetic acid;prop-2-en-1-amine?
The InChIKey is BCKFKSAORLSYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3.C3H7N/c1-3-4-8(6(2)9)5-7(10)11;1-2-3-4/h6,9H,3-5H2,1-2H3,(H,10,11);2H,1,3-4H2.
What are the key properties of 2-[1-hydroxyethyl(propyl)amino]acetic acid;prop-2-en-1-amine?
2-[1-hydroxyethyl(propyl)amino]acetic acid;prop-2-en-1-amine has a molecular weight of 218.30 g/mol, XLogP of 0.25, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-hydroxyethyl(propyl)amino]acetic acid;prop-2-en-1-amine is sourced from PubChem (CID 87059683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).