2-methyl-3-pentan-2-yloxy-2-(propylamino)propanoic acid

C12H25NO3 — CID 102984225

IUPAC2-methyl-3-pentan-2-yloxy-2-(propylamino)propanoic acid
SMILESCCCNC(C)(COC(C)CCC)C(=O)O
InChIInChI=1S/C12H25NO3/c1-5-7-10(3)16-9-12(4,11(14)15)13-8-6-2/h10,13H,5-9H2,1-4H3,(H,14,15)
InChIKeyDPVSCVIPDBMMBE-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.03
Rot. Bonds9

About 2-methyl-3-pentan-2-yloxy-2-(propylamino)propanoic acid

2-methyl-3-pentan-2-yloxy-2-(propylamino)propanoic acid (PubChem CID 102984225) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-methyl-3-pentan-2-yloxy-2-(propylamino)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-pentan-2-yloxy-2-(propylamino)propanoic acid
PubChem CID102984225
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name2-methyl-3-pentan-2-yloxy-2-(propylamino)propanoic acid
SMILESCCCNC(C)(COC(C)CCC)C(=O)O
InChIInChI=1S/C12H25NO3/c1-5-7-10(3)16-9-12(4,11(14)15)13-8-6-2/h10,13H,5-9H2,1-4H3,(H,14,15)
InChIKeyDPVSCVIPDBMMBE-UHFFFAOYSA-N
XLogP2.03
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-pentan-2-yloxy-2-(propylamino)propanoic acid?
The IUPAC name of 2-methyl-3-pentan-2-yloxy-2-(propylamino)propanoic acid (CID 102984225) is 2-methyl-3-pentan-2-yloxy-2-(propylamino)propanoic acid.
What is the SMILES notation for 2-methyl-3-pentan-2-yloxy-2-(propylamino)propanoic acid?
The canonical SMILES for 2-methyl-3-pentan-2-yloxy-2-(propylamino)propanoic acid is CCCNC(C)(COC(C)CCC)C(=O)O.
What is the InChIKey of 2-methyl-3-pentan-2-yloxy-2-(propylamino)propanoic acid?
The InChIKey is DPVSCVIPDBMMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-5-7-10(3)16-9-12(4,11(14)15)13-8-6-2/h10,13H,5-9H2,1-4H3,(H,14,15).
What are the key properties of 2-methyl-3-pentan-2-yloxy-2-(propylamino)propanoic acid?
2-methyl-3-pentan-2-yloxy-2-(propylamino)propanoic acid has a molecular weight of 231.34 g/mol, XLogP of 2.03, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-pentan-2-yloxy-2-(propylamino)propanoic acid is sourced from PubChem (CID 102984225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).