(2R)-2-[3-(methylamino)-3-oxopropoxy]propanoic acid

C7H13NO4 — CID 104875215

IUPAC(2R)-2-[3-(methylamino)-3-oxopropoxy]propanoic acid
SMILESCNC(=O)CCO[C@H](C)C(=O)O
InChIInChI=1S/C7H13NO4/c1-5(7(10)11)12-4-3-6(9)8-2/h5H,3-4H2,1-2H3,(H,8,9)(H,10,11)/t5-/m1/s1
InChIKeyNOGCIXGRFHHMQM-RXMQYKEDSA-N
MW175.18 g/mol
LogP-0.39
Rot. Bonds5

About (2R)-2-[3-(methylamino)-3-oxopropoxy]propanoic acid

(2R)-2-[3-(methylamino)-3-oxopropoxy]propanoic acid (PubChem CID 104875215) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is (2R)-2-[3-(methylamino)-3-oxopropoxy]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[3-(methylamino)-3-oxopropoxy]propanoic acid
PubChem CID104875215
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name(2R)-2-[3-(methylamino)-3-oxopropoxy]propanoic acid
SMILESCNC(=O)CCO[C@H](C)C(=O)O
InChIInChI=1S/C7H13NO4/c1-5(7(10)11)12-4-3-6(9)8-2/h5H,3-4H2,1-2H3,(H,8,9)(H,10,11)/t5-/m1/s1
InChIKeyNOGCIXGRFHHMQM-RXMQYKEDSA-N
XLogP-0.39
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(methylamino)-3-oxopropoxy]propanoic acid?
The IUPAC name of (2R)-2-[3-(methylamino)-3-oxopropoxy]propanoic acid (CID 104875215) is (2R)-2-[3-(methylamino)-3-oxopropoxy]propanoic acid.
What is the SMILES notation for (2R)-2-[3-(methylamino)-3-oxopropoxy]propanoic acid?
The canonical SMILES for (2R)-2-[3-(methylamino)-3-oxopropoxy]propanoic acid is CNC(=O)CCO[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-[3-(methylamino)-3-oxopropoxy]propanoic acid?
The InChIKey is NOGCIXGRFHHMQM-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H13NO4/c1-5(7(10)11)12-4-3-6(9)8-2/h5H,3-4H2,1-2H3,(H,8,9)(H,10,11)/t5-/m1/s1.
What are the key properties of (2R)-2-[3-(methylamino)-3-oxopropoxy]propanoic acid?
(2R)-2-[3-(methylamino)-3-oxopropoxy]propanoic acid has a molecular weight of 175.18 g/mol, XLogP of -0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(methylamino)-3-oxopropoxy]propanoic acid is sourced from PubChem (CID 104875215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).