2-(1-aminoethylamino)acetic acid;methanesulfonamide

C5H15N3O4S — CID 87392387

IUPAC2-(1-aminoethylamino)acetic acid;methanesulfonamide
SMILESCC(N)NCC(=O)O.CS(N)(=O)=O
InChIInChI=1S/C4H10N2O2.CH5NO2S/c1-3(5)6-2-4(7)8;1-5(2,3)4/h3,6H,2,5H2,1H3,(H,7,8);1H3,(H2,2,3,4)
InChIKeyMLJRLIZEPLSWIV-UHFFFAOYSA-N
MW213.26 g/mol
LogP-2.13
Rot. Bonds3

About 2-(1-aminoethylamino)acetic acid;methanesulfonamide

2-(1-aminoethylamino)acetic acid;methanesulfonamide (PubChem CID 87392387) has the molecular formula C5H15N3O4S and a molecular weight of 213.26 g/mol. Its IUPAC name is 2-(1-aminoethylamino)acetic acid;methanesulfonamide.

Molecular Properties

Compound Name2-(1-aminoethylamino)acetic acid;methanesulfonamide
PubChem CID87392387
Molecular FormulaC5H15N3O4S
Molecular Weight213.26 g/mol
Exact Mass213.08
IUPAC Name2-(1-aminoethylamino)acetic acid;methanesulfonamide
SMILESCC(N)NCC(=O)O.CS(N)(=O)=O
InChIInChI=1S/C4H10N2O2.CH5NO2S/c1-3(5)6-2-4(7)8;1-5(2,3)4/h3,6H,2,5H2,1H3,(H,7,8);1H3,(H2,2,3,4)
InChIKeyMLJRLIZEPLSWIV-UHFFFAOYSA-N
XLogP-2.13
TPSA135.51 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 5-2.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethylamino)acetic acid;methanesulfonamide?
The IUPAC name of 2-(1-aminoethylamino)acetic acid;methanesulfonamide (CID 87392387) is 2-(1-aminoethylamino)acetic acid;methanesulfonamide.
What is the SMILES notation for 2-(1-aminoethylamino)acetic acid;methanesulfonamide?
The canonical SMILES for 2-(1-aminoethylamino)acetic acid;methanesulfonamide is CC(N)NCC(=O)O.CS(N)(=O)=O.
What is the InChIKey of 2-(1-aminoethylamino)acetic acid;methanesulfonamide?
The InChIKey is MLJRLIZEPLSWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O2.CH5NO2S/c1-3(5)6-2-4(7)8;1-5(2,3)4/h3,6H,2,5H2,1H3,(H,7,8);1H3,(H2,2,3,4).
What are the key properties of 2-(1-aminoethylamino)acetic acid;methanesulfonamide?
2-(1-aminoethylamino)acetic acid;methanesulfonamide has a molecular weight of 213.26 g/mol, XLogP of -2.13, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethylamino)acetic acid;methanesulfonamide is sourced from PubChem (CID 87392387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).