3-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)propanoic acid

C12H26N2O3 — CID 81061472

IUPAC3-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)propanoic acid
SMILESCC(C)NC(CN(C)CCOC(C)C)C(=O)O
InChIInChI=1S/C12H26N2O3/c1-9(2)13-11(12(15)16)8-14(5)6-7-17-10(3)4/h9-11,13H,6-8H2,1-5H3,(H,15,16)
InChIKeyWGVCPKLZSLRDPT-UHFFFAOYSA-N
MW246.35 g/mol
LogP0.79
Rot. Bonds9

About 3-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)propanoic acid

3-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)propanoic acid (PubChem CID 81061472) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)propanoic acid.

Molecular Properties

Compound Name3-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)propanoic acid
PubChem CID81061472
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Name3-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)propanoic acid
SMILESCC(C)NC(CN(C)CCOC(C)C)C(=O)O
InChIInChI=1S/C12H26N2O3/c1-9(2)13-11(12(15)16)8-14(5)6-7-17-10(3)4/h9-11,13H,6-8H2,1-5H3,(H,15,16)
InChIKeyWGVCPKLZSLRDPT-UHFFFAOYSA-N
XLogP0.79
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)propanoic acid?
The IUPAC name of 3-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)propanoic acid (CID 81061472) is 3-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)propanoic acid.
What is the SMILES notation for 3-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)propanoic acid?
The canonical SMILES for 3-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)propanoic acid is CC(C)NC(CN(C)CCOC(C)C)C(=O)O.
What is the InChIKey of 3-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)propanoic acid?
The InChIKey is WGVCPKLZSLRDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-9(2)13-11(12(15)16)8-14(5)6-7-17-10(3)4/h9-11,13H,6-8H2,1-5H3,(H,15,16).
What are the key properties of 3-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)propanoic acid?
3-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)propanoic acid has a molecular weight of 246.35 g/mol, XLogP of 0.79, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)propanoic acid is sourced from PubChem (CID 81061472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).