methyl 3-hydroxy-2-(2-methylpropylamino)propanoate

C8H17NO3 — CID 18423903

IUPACmethyl 3-hydroxy-2-(2-methylpropylamino)propanoate
SMILESCOC(=O)C(CO)NCC(C)C
InChIInChI=1S/C8H17NO3/c1-6(2)4-9-7(5-10)8(11)12-3/h6-7,9-10H,4-5H2,1-3H3
InChIKeyXELUTITUQKBHPX-UHFFFAOYSA-N
MW175.23 g/mol
LogP-0.23
Rot. Bonds5

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

methyl 3-hydroxy-2-(2-methylpropylamino)propanoate (PubChem CID 18423903) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is methyl 3-hydroxy-2-(2-methylpropylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-(2-methylpropylamino)propanoate
PubChem CID18423903
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Namemethyl 3-hydroxy-2-(2-methylpropylamino)propanoate
SMILESCOC(=O)C(CO)NCC(C)C
InChIInChI=1S/C8H17NO3/c1-6(2)4-9-7(5-10)8(11)12-3/h6-7,9-10H,4-5H2,1-3H3
InChIKeyXELUTITUQKBHPX-UHFFFAOYSA-N
XLogP-0.23
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-0.23
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-(2-methylpropylamino)propanoate?
The IUPAC name of methyl 3-hydroxy-2-(2-methylpropylamino)propanoate (CID 18423903) is methyl 3-hydroxy-2-(2-methylpropylamino)propanoate.
What is the SMILES notation for methyl 3-hydroxy-2-(2-methylpropylamino)propanoate?
The canonical SMILES for methyl 3-hydroxy-2-(2-methylpropylamino)propanoate is COC(=O)C(CO)NCC(C)C.
What is the InChIKey of methyl 3-hydroxy-2-(2-methylpropylamino)propanoate?
The InChIKey is XELUTITUQKBHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-6(2)4-9-7(5-10)8(11)12-3/h6-7,9-10H,4-5H2,1-3H3.
What are the key properties of methyl 3-hydroxy-2-(2-methylpropylamino)propanoate?
methyl 3-hydroxy-2-(2-methylpropylamino)propanoate has a molecular weight of 175.23 g/mol, XLogP of -0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2-(2-methylpropylamino)propanoate is sourced from PubChem (CID 18423903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).