ethane;methyl 3-amino-2-(methylamino)propanoate

C7H18N2O2 — CID 142001160

IUPACethane;methyl 3-amino-2-(methylamino)propanoate
SMILESCC.CNC(CN)C(=O)OC
InChIInChI=1S/C5H12N2O2.C2H6/c1-7-4(3-6)5(8)9-2;1-2/h4,7H,3,6H2,1-2H3;1-2H3
InChIKeyUJQCKHAPNDDOFW-UHFFFAOYSA-N
MW162.23 g/mol
LogP-0.27
Rot. Bonds3

About ethane;methyl 3-amino-2-(methylamino)propanoate

ethane;methyl 3-amino-2-(methylamino)propanoate (PubChem CID 142001160) has the molecular formula C7H18N2O2 and a molecular weight of 162.23 g/mol. Its IUPAC name is ethane;methyl 3-amino-2-(methylamino)propanoate.

Molecular Properties

Compound Nameethane;methyl 3-amino-2-(methylamino)propanoate
PubChem CID142001160
Molecular FormulaC7H18N2O2
Molecular Weight162.23 g/mol
Exact Mass162.14
IUPAC Nameethane;methyl 3-amino-2-(methylamino)propanoate
SMILESCC.CNC(CN)C(=O)OC
InChIInChI=1S/C5H12N2O2.C2H6/c1-7-4(3-6)5(8)9-2;1-2/h4,7H,3,6H2,1-2H3;1-2H3
InChIKeyUJQCKHAPNDDOFW-UHFFFAOYSA-N
XLogP-0.27
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;methyl 3-amino-2-(methylamino)propanoate?
The IUPAC name of ethane;methyl 3-amino-2-(methylamino)propanoate (CID 142001160) is ethane;methyl 3-amino-2-(methylamino)propanoate.
What is the SMILES notation for ethane;methyl 3-amino-2-(methylamino)propanoate?
The canonical SMILES for ethane;methyl 3-amino-2-(methylamino)propanoate is CC.CNC(CN)C(=O)OC.
What is the InChIKey of ethane;methyl 3-amino-2-(methylamino)propanoate?
The InChIKey is UJQCKHAPNDDOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2.C2H6/c1-7-4(3-6)5(8)9-2;1-2/h4,7H,3,6H2,1-2H3;1-2H3.
What are the key properties of ethane;methyl 3-amino-2-(methylamino)propanoate?
ethane;methyl 3-amino-2-(methylamino)propanoate has a molecular weight of 162.23 g/mol, XLogP of -0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 3-amino-2-(methylamino)propanoate is sourced from PubChem (CID 142001160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).