ethane;3-(methylamino)-4-oxopentanoic acid

C8H17NO3 — CID 177221503

IUPACethane;3-(methylamino)-4-oxopentanoic acid
SMILESCC.CNC(CC(=O)O)C(C)=O
InChIInChI=1S/C6H11NO3.C2H6/c1-4(8)5(7-2)3-6(9)10;1-2/h5,7H,3H2,1-2H3,(H,9,10);1-2H3
InChIKeyNXWWKWXAMQUKJL-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.66
Rot. Bonds4

About ethane;3-(methylamino)-4-oxopentanoic acid

ethane;3-(methylamino)-4-oxopentanoic acid (PubChem CID 177221503) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is ethane;3-(methylamino)-4-oxopentanoic acid.

Molecular Properties

Compound Nameethane;3-(methylamino)-4-oxopentanoic acid
PubChem CID177221503
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Nameethane;3-(methylamino)-4-oxopentanoic acid
SMILESCC.CNC(CC(=O)O)C(C)=O
InChIInChI=1S/C6H11NO3.C2H6/c1-4(8)5(7-2)3-6(9)10;1-2/h5,7H,3H2,1-2H3,(H,9,10);1-2H3
InChIKeyNXWWKWXAMQUKJL-UHFFFAOYSA-N
XLogP0.66
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;3-(methylamino)-4-oxopentanoic acid?
The IUPAC name of ethane;3-(methylamino)-4-oxopentanoic acid (CID 177221503) is ethane;3-(methylamino)-4-oxopentanoic acid.
What is the SMILES notation for ethane;3-(methylamino)-4-oxopentanoic acid?
The canonical SMILES for ethane;3-(methylamino)-4-oxopentanoic acid is CC.CNC(CC(=O)O)C(C)=O.
What is the InChIKey of ethane;3-(methylamino)-4-oxopentanoic acid?
The InChIKey is NXWWKWXAMQUKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3.C2H6/c1-4(8)5(7-2)3-6(9)10;1-2/h5,7H,3H2,1-2H3,(H,9,10);1-2H3.
What are the key properties of ethane;3-(methylamino)-4-oxopentanoic acid?
ethane;3-(methylamino)-4-oxopentanoic acid has a molecular weight of 175.23 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(methylamino)-4-oxopentanoic acid is sourced from PubChem (CID 177221503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).