2-[ethyl-(4-methoxy-4-methylpentan-2-yl)amino]-2-methylpropanoic acid

C13H27NO3 — CID 65061573

IUPAC2-[ethyl-(4-methoxy-4-methylpentan-2-yl)amino]-2-methylpropanoic acid
SMILESCCN(C(C)CC(C)(C)OC)C(C)(C)C(=O)O
InChIInChI=1S/C13H27NO3/c1-8-14(13(5,6)11(15)16)10(2)9-12(3,4)17-7/h10H,8-9H2,1-7H3,(H,15,16)
InChIKeyAXAFBIANIRJHED-UHFFFAOYSA-N
MW245.36 g/mol
LogP2.38
Rot. Bonds7

About 2-[ethyl-(4-methoxy-4-methylpentan-2-yl)amino]-2-methylpropanoic acid

2-[ethyl-(4-methoxy-4-methylpentan-2-yl)amino]-2-methylpropanoic acid (PubChem CID 65061573) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is 2-[ethyl-(4-methoxy-4-methylpentan-2-yl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl-(4-methoxy-4-methylpentan-2-yl)amino]-2-methylpropanoic acid
PubChem CID65061573
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Name2-[ethyl-(4-methoxy-4-methylpentan-2-yl)amino]-2-methylpropanoic acid
SMILESCCN(C(C)CC(C)(C)OC)C(C)(C)C(=O)O
InChIInChI=1S/C13H27NO3/c1-8-14(13(5,6)11(15)16)10(2)9-12(3,4)17-7/h10H,8-9H2,1-7H3,(H,15,16)
InChIKeyAXAFBIANIRJHED-UHFFFAOYSA-N
XLogP2.38
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl(2-methylpentan-3-yl)amino]-2-methylpropanoic acid
CID 65061521
2-[ethyl(4-phenylbutan-2-yl)amino]-2-methylpropanoic acid
CID 65061373
2-[(4-methoxy-4-methylpentan-2-yl)-prop-2-enylamino]acetic acid
CID 79285806
2-(dimethylamino)-4-methoxy-4-methylpentanoic acid
CID 106676156
2-[1-cyclopentylethyl(ethyl)amino]-2-methylpropanoic acid
CID 65061861
3-(diethylamino)-5-methoxy-5-methylhexanoic acid
CID 106676479
2-[ethyl(1-thiophen-3-ylethyl)amino]-2-methylpropanoic acid
CID 65061477
2-[ethyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]-2-methylpropanoic acid
CID 62820971
2-[2-methoxyethyl(pentan-3-yl)amino]-2-methylpropanoic acid
CID 114996787
2-[ethyl(propan-2-yl)amino]-4-methoxy-2-methylbutanoic acid
CID 114999201
2-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-ethylamino]-2-methylpropanoic acid
CID 62820612
N-ethyl-2-[(4-methoxy-4-methylpentan-2-yl)amino]-N-methylacetamide
CID 104926691

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(4-methoxy-4-methylpentan-2-yl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl-(4-methoxy-4-methylpentan-2-yl)amino]-2-methylpropanoic acid (CID 65061573) is 2-[ethyl-(4-methoxy-4-methylpentan-2-yl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl-(4-methoxy-4-methylpentan-2-yl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl-(4-methoxy-4-methylpentan-2-yl)amino]-2-methylpropanoic acid is CCN(C(C)CC(C)(C)OC)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl-(4-methoxy-4-methylpentan-2-yl)amino]-2-methylpropanoic acid?
The InChIKey is AXAFBIANIRJHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-8-14(13(5,6)11(15)16)10(2)9-12(3,4)17-7/h10H,8-9H2,1-7H3,(H,15,16).
What are the key properties of 2-[ethyl-(4-methoxy-4-methylpentan-2-yl)amino]-2-methylpropanoic acid?
2-[ethyl-(4-methoxy-4-methylpentan-2-yl)amino]-2-methylpropanoic acid has a molecular weight of 245.36 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(4-methoxy-4-methylpentan-2-yl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 65061573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).