2-aminoacetic acid;1-methylimidazole;propan-1-amine

C9H20N4O2 — CID 175499641

IUPAC2-aminoacetic acid;1-methylimidazole;propan-1-amine
SMILESCCCN.Cn1ccnc1.NCC(=O)O
InChIInChI=1S/C4H6N2.C3H9N.C2H5NO2/c1-6-3-2-5-4-6;1-2-3-4;3-1-2(4)5/h2-4H,1H3;2-4H2,1H3;1,3H2,(H,4,5)
InChIKeyNWKIVCQKDRFCNE-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.20
Rot. Bonds2

About 2-aminoacetic acid;1-methylimidazole;propan-1-amine

2-aminoacetic acid;1-methylimidazole;propan-1-amine (PubChem CID 175499641) has the molecular formula C9H20N4O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-aminoacetic acid;1-methylimidazole;propan-1-amine.

Molecular Properties

Compound Name2-aminoacetic acid;1-methylimidazole;propan-1-amine
PubChem CID175499641
Molecular FormulaC9H20N4O2
Molecular Weight216.28 g/mol
Exact Mass216.16
IUPAC Name2-aminoacetic acid;1-methylimidazole;propan-1-amine
SMILESCCCN.Cn1ccnc1.NCC(=O)O
InChIInChI=1S/C4H6N2.C3H9N.C2H5NO2/c1-6-3-2-5-4-6;1-2-3-4;3-1-2(4)5/h2-4H,1H3;2-4H2,1H3;1,3H2,(H,4,5)
InChIKeyNWKIVCQKDRFCNE-UHFFFAOYSA-N
XLogP-0.20
TPSA107.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;1-methylimidazole;propan-1-amine?
The IUPAC name of 2-aminoacetic acid;1-methylimidazole;propan-1-amine (CID 175499641) is 2-aminoacetic acid;1-methylimidazole;propan-1-amine.
What is the SMILES notation for 2-aminoacetic acid;1-methylimidazole;propan-1-amine?
The canonical SMILES for 2-aminoacetic acid;1-methylimidazole;propan-1-amine is CCCN.Cn1ccnc1.NCC(=O)O.
What is the InChIKey of 2-aminoacetic acid;1-methylimidazole;propan-1-amine?
The InChIKey is NWKIVCQKDRFCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2.C3H9N.C2H5NO2/c1-6-3-2-5-4-6;1-2-3-4;3-1-2(4)5/h2-4H,1H3;2-4H2,1H3;1,3H2,(H,4,5).
What are the key properties of 2-aminoacetic acid;1-methylimidazole;propan-1-amine?
2-aminoacetic acid;1-methylimidazole;propan-1-amine has a molecular weight of 216.28 g/mol, XLogP of -0.20, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;1-methylimidazole;propan-1-amine is sourced from PubChem (CID 175499641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).