2-aminoacetic acid;2-[1-(2-hydroxyethyl)imidazol-2-yl]acetic acid;quinoline

C18H22N4O5 — CID 174828962

IUPAC2-aminoacetic acid;2-[1-(2-hydroxyethyl)imidazol-2-yl]acetic acid;quinoline
SMILESNCC(=O)O.O=C(O)Cc1nccn1CCO.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C7H10N2O3.C2H5NO2/c1-2-6-9-8(4-1)5-3-7-10-9;10-4-3-9-2-1-8-6(9)5-7(11)12;3-1-2(4)5/h1-7H;1-2,10H,3-5H2,(H,11,12);1,3H2,(H,4,5)
InChIKeyQZQCIYYSMDPMTH-UHFFFAOYSA-N
MW374.40 g/mol
LogP0.77
Rot. Bonds5

About 2-aminoacetic acid;2-[1-(2-hydroxyethyl)imidazol-2-yl]acetic acid;quinoline

2-aminoacetic acid;2-[1-(2-hydroxyethyl)imidazol-2-yl]acetic acid;quinoline (PubChem CID 174828962) has the molecular formula C18H22N4O5 and a molecular weight of 374.40 g/mol. Its IUPAC name is 2-aminoacetic acid;2-[1-(2-hydroxyethyl)imidazol-2-yl]acetic acid;quinoline.

Molecular Properties

Compound Name2-aminoacetic acid;2-[1-(2-hydroxyethyl)imidazol-2-yl]acetic acid;quinoline
PubChem CID174828962
Molecular FormulaC18H22N4O5
Molecular Weight374.40 g/mol
Exact Mass374.16
IUPAC Name2-aminoacetic acid;2-[1-(2-hydroxyethyl)imidazol-2-yl]acetic acid;quinoline
SMILESNCC(=O)O.O=C(O)Cc1nccn1CCO.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C7H10N2O3.C2H5NO2/c1-2-6-9-8(4-1)5-3-7-10-9;10-4-3-9-2-1-8-6(9)5-7(11)12;3-1-2(4)5/h1-7H;1-2,10H,3-5H2,(H,11,12);1,3H2,(H,4,5)
InChIKeyQZQCIYYSMDPMTH-UHFFFAOYSA-N
XLogP0.77
TPSA151.56 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 50.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;2-[1-(2-hydroxyethyl)imidazol-2-yl]acetic acid;quinoline?
The IUPAC name of 2-aminoacetic acid;2-[1-(2-hydroxyethyl)imidazol-2-yl]acetic acid;quinoline (CID 174828962) is 2-aminoacetic acid;2-[1-(2-hydroxyethyl)imidazol-2-yl]acetic acid;quinoline.
What is the SMILES notation for 2-aminoacetic acid;2-[1-(2-hydroxyethyl)imidazol-2-yl]acetic acid;quinoline?
The canonical SMILES for 2-aminoacetic acid;2-[1-(2-hydroxyethyl)imidazol-2-yl]acetic acid;quinoline is NCC(=O)O.O=C(O)Cc1nccn1CCO.c1ccc2ncccc2c1.
What is the InChIKey of 2-aminoacetic acid;2-[1-(2-hydroxyethyl)imidazol-2-yl]acetic acid;quinoline?
The InChIKey is QZQCIYYSMDPMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C7H10N2O3.C2H5NO2/c1-2-6-9-8(4-1)5-3-7-10-9;10-4-3-9-2-1-8-6(9)5-7(11)12;3-1-2(4)5/h1-7H;1-2,10H,3-5H2,(H,11,12);1,3H2,(H,4,5).
What are the key properties of 2-aminoacetic acid;2-[1-(2-hydroxyethyl)imidazol-2-yl]acetic acid;quinoline?
2-aminoacetic acid;2-[1-(2-hydroxyethyl)imidazol-2-yl]acetic acid;quinoline has a molecular weight of 374.40 g/mol, XLogP of 0.77, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;2-[1-(2-hydroxyethyl)imidazol-2-yl]acetic acid;quinoline is sourced from PubChem (CID 174828962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).