4-[(2-methoxy-2-methylpropyl)amino]pentanoic acid

C10H21NO3 — CID 104759577

IUPAC4-[(2-methoxy-2-methylpropyl)amino]pentanoic acid
SMILESCOC(C)(C)CNC(C)CCC(=O)O
InChIInChI=1S/C10H21NO3/c1-8(5-6-9(12)13)11-7-10(2,3)14-4/h8,11H,5-7H2,1-4H3,(H,12,13)
InChIKeyKOIOWPMOURQLGA-UHFFFAOYSA-N
MW203.28 g/mol
LogP1.25
Rot. Bonds7

About 4-[(2-methoxy-2-methylpropyl)amino]pentanoic acid

4-[(2-methoxy-2-methylpropyl)amino]pentanoic acid (PubChem CID 104759577) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 4-[(2-methoxy-2-methylpropyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-[(2-methoxy-2-methylpropyl)amino]pentanoic acid
PubChem CID104759577
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name4-[(2-methoxy-2-methylpropyl)amino]pentanoic acid
SMILESCOC(C)(C)CNC(C)CCC(=O)O
InChIInChI=1S/C10H21NO3/c1-8(5-6-9(12)13)11-7-10(2,3)14-4/h8,11H,5-7H2,1-4H3,(H,12,13)
InChIKeyKOIOWPMOURQLGA-UHFFFAOYSA-N
XLogP1.25
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]pentanoic acid
CID 106249581
4-methoxy-N-(2-methoxy-2-methylpropyl)-4-methylpentan-2-amine
CID 115728657
4-[(2-hydroxy-2,4-dimethylpentyl)amino]pentanoic acid
CID 66178586
3-[(2-methoxy-2-methylpropyl)amino]-N-methylbutanamide
CID 115728614
methyl 4-[(2-methoxy-2-methylpropyl)amino]-2-methylpentanoate
CID 104646437
N-(2-methoxy-2-methylpropyl)nonan-2-amine
CID 104759526
2-[(2-methoxy-2-methylpropyl)amino]-N-pentan-3-ylpropanamide
CID 115664073
N-butan-2-yl-2-[(2-methoxy-2-methylpropyl)amino]propanamide
CID 115664072
N-carbamoyl-2-[(2-methoxy-2-methylpropyl)amino]propanamide
CID 115664044
(4R)-4-[(4-methoxy-4-oxobutyl)amino]pentanoic acid
CID 87857187
4-(2,2-difluoroethylamino)pentanoic acid
CID 115405874
5-[(2-methoxy-2-methylpropyl)amino]-5-oxopentanoic acid
CID 104573930

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxy-2-methylpropyl)amino]pentanoic acid?
The IUPAC name of 4-[(2-methoxy-2-methylpropyl)amino]pentanoic acid (CID 104759577) is 4-[(2-methoxy-2-methylpropyl)amino]pentanoic acid.
What is the SMILES notation for 4-[(2-methoxy-2-methylpropyl)amino]pentanoic acid?
The canonical SMILES for 4-[(2-methoxy-2-methylpropyl)amino]pentanoic acid is COC(C)(C)CNC(C)CCC(=O)O.
What is the InChIKey of 4-[(2-methoxy-2-methylpropyl)amino]pentanoic acid?
The InChIKey is KOIOWPMOURQLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-8(5-6-9(12)13)11-7-10(2,3)14-4/h8,11H,5-7H2,1-4H3,(H,12,13).
What are the key properties of 4-[(2-methoxy-2-methylpropyl)amino]pentanoic acid?
4-[(2-methoxy-2-methylpropyl)amino]pentanoic acid has a molecular weight of 203.28 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxy-2-methylpropyl)amino]pentanoic acid is sourced from PubChem (CID 104759577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).