methyl 3-hydroxy-2-(propanoylamino)propanoate

C7H13NO4 — CID 43407034

IUPACmethyl 3-hydroxy-2-(propanoylamino)propanoate
SMILESCCC(=O)NC(CO)C(=O)OC
InChIInChI=1S/C7H13NO4/c1-3-6(10)8-5(4-9)7(11)12-2/h5,9H,3-4H2,1-2H3,(H,8,10)
InChIKeyDGVOJRTYDSBBLG-UHFFFAOYSA-N
MW175.18 g/mol
LogP-0.95
Rot. Bonds4

About methyl 3-hydroxy-2-(propanoylamino)propanoate

methyl 3-hydroxy-2-(propanoylamino)propanoate (PubChem CID 43407034) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is methyl 3-hydroxy-2-(propanoylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-(propanoylamino)propanoate
PubChem CID43407034
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Namemethyl 3-hydroxy-2-(propanoylamino)propanoate
SMILESCCC(=O)NC(CO)C(=O)OC
InChIInChI=1S/C7H13NO4/c1-3-6(10)8-5(4-9)7(11)12-2/h5,9H,3-4H2,1-2H3,(H,8,10)
InChIKeyDGVOJRTYDSBBLG-UHFFFAOYSA-N
XLogP-0.95
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2-(propanoylamino)propanoate?
The IUPAC name of methyl 3-hydroxy-2-(propanoylamino)propanoate (CID 43407034) is methyl 3-hydroxy-2-(propanoylamino)propanoate.
What is the SMILES notation for methyl 3-hydroxy-2-(propanoylamino)propanoate?
The canonical SMILES for methyl 3-hydroxy-2-(propanoylamino)propanoate is CCC(=O)NC(CO)C(=O)OC.
What is the InChIKey of methyl 3-hydroxy-2-(propanoylamino)propanoate?
The InChIKey is DGVOJRTYDSBBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4/c1-3-6(10)8-5(4-9)7(11)12-2/h5,9H,3-4H2,1-2H3,(H,8,10).
What are the key properties of methyl 3-hydroxy-2-(propanoylamino)propanoate?
methyl 3-hydroxy-2-(propanoylamino)propanoate has a molecular weight of 175.18 g/mol, XLogP of -0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2-(propanoylamino)propanoate is sourced from PubChem (CID 43407034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).