ethane;2-(methylamino)acetic acid;methyl formate

C7H17NO4 — CID 144537769

IUPACethane;2-(methylamino)acetic acid;methyl formate
SMILESCC.CNCC(=O)O.COC=O
InChIInChI=1S/C3H7NO2.C2H4O2.C2H6/c1-4-2-3(5)6;1-4-2-3;1-2/h4H,2H2,1H3,(H,5,6);2H,1H3;1-2H3
InChIKeySVYGZNSPSYIWLM-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.11
Rot. Bonds3

About ethane;2-(methylamino)acetic acid;methyl formate

ethane;2-(methylamino)acetic acid;methyl formate (PubChem CID 144537769) has the molecular formula C7H17NO4 and a molecular weight of 179.22 g/mol. Its IUPAC name is ethane;2-(methylamino)acetic acid;methyl formate.

Molecular Properties

Compound Nameethane;2-(methylamino)acetic acid;methyl formate
PubChem CID144537769
Molecular FormulaC7H17NO4
Molecular Weight179.22 g/mol
Exact Mass179.12
IUPAC Nameethane;2-(methylamino)acetic acid;methyl formate
SMILESCC.CNCC(=O)O.COC=O
InChIInChI=1S/C3H7NO2.C2H4O2.C2H6/c1-4-2-3(5)6;1-4-2-3;1-2/h4H,2H2,1H3,(H,5,6);2H,1H3;1-2H3
InChIKeySVYGZNSPSYIWLM-UHFFFAOYSA-N
XLogP0.11
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

tripotassium;hydride;2-(methylamino)acetic acid
CID 174232708
acetic acid;2-(methylamino)acetic acid;hydrochloride
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CID 175782236
methyl formate;N-methylmethanamine
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tert-butyl 2-(methylamino)acetate;2-(methylamino)acetic acid
CID 165001010
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;2-(methylamino)acetic acid
CID 23451902
2-[[(E)-2-methoxyethenyl]amino]acetic acid
CID 87073371
formaldehyde;methane;2-(methylamino)-1-pyrrolidin-1-ylethanone;methyl formate;propane
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2-(methylamino)acetic acid;2-methylphenol
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azane;methyl 2-(methylamino)acetate
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2-(carboxymethylamino)acetic acid
CID 8897
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CID 145362143

Frequently Asked Questions

What is the IUPAC name of ethane;2-(methylamino)acetic acid;methyl formate?
The IUPAC name of ethane;2-(methylamino)acetic acid;methyl formate (CID 144537769) is ethane;2-(methylamino)acetic acid;methyl formate.
What is the SMILES notation for ethane;2-(methylamino)acetic acid;methyl formate?
The canonical SMILES for ethane;2-(methylamino)acetic acid;methyl formate is CC.CNCC(=O)O.COC=O.
What is the InChIKey of ethane;2-(methylamino)acetic acid;methyl formate?
The InChIKey is SVYGZNSPSYIWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO2.C2H4O2.C2H6/c1-4-2-3(5)6;1-4-2-3;1-2/h4H,2H2,1H3,(H,5,6);2H,1H3;1-2H3.
What are the key properties of ethane;2-(methylamino)acetic acid;methyl formate?
ethane;2-(methylamino)acetic acid;methyl formate has a molecular weight of 179.22 g/mol, XLogP of 0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(methylamino)acetic acid;methyl formate is sourced from PubChem (CID 144537769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).