2-[[4-(3,3-dimethylbutyl)morpholin-2-yl]methyl-methylamino]acetic acid

C14H28N2O3 — CID 122043734

IUPAC2-[[4-(3,3-dimethylbutyl)morpholin-2-yl]methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)CC1CN(CCC(C)(C)C)CCO1
InChIInChI=1S/C14H28N2O3/c1-14(2,3)5-6-16-7-8-19-12(10-16)9-15(4)11-13(17)18/h12H,5-11H2,1-4H3,(H,17,18)
InChIKeyOZMDKSLZLGGIKU-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.14
Rot. Bonds6

About 2-[[4-(3,3-dimethylbutyl)morpholin-2-yl]methyl-methylamino]acetic acid

2-[[4-(3,3-dimethylbutyl)morpholin-2-yl]methyl-methylamino]acetic acid (PubChem CID 122043734) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-[[4-(3,3-dimethylbutyl)morpholin-2-yl]methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[4-(3,3-dimethylbutyl)morpholin-2-yl]methyl-methylamino]acetic acid
PubChem CID122043734
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name2-[[4-(3,3-dimethylbutyl)morpholin-2-yl]methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)CC1CN(CCC(C)(C)C)CCO1
InChIInChI=1S/C14H28N2O3/c1-14(2,3)5-6-16-7-8-19-12(10-16)9-15(4)11-13(17)18/h12H,5-11H2,1-4H3,(H,17,18)
InChIKeyOZMDKSLZLGGIKU-UHFFFAOYSA-N
XLogP1.14
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[[4-[(4-methylcyclohexyl)methyl]morpholin-2-yl]methyl]amino]acetic acid
CID 122043779
2-[[4-[3-(2,6-dichlorophenyl)propyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043689
2-[[4-[3-(3,5-dimethylphenoxy)propyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122082914
2-[[4-[[4-(4-chlorophenyl)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043659
2-[methyl-[[4-(3-methyl-2-phenylbutyl)morpholin-2-yl]methyl]amino]acetic acid
CID 122043673
2-[[4-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043789
2-[[4-[(3-bromophenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043743
2-[methyl-[[4-[(4-phenylsulfanylphenyl)methyl]morpholin-2-yl]methyl]amino]acetic acid
CID 122043801
2-[[4-[(4-bromo-3-methylphenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043553
2-[[4-[(4,5-dichlorothiophen-3-yl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043695
2-[methyl-[[4-[(5-phenylthiophen-2-yl)methyl]morpholin-2-yl]methyl]amino]acetic acid
CID 122043678
2-[[(2S)-4-(4-cyano-2,2-dimethylbutyl)morpholin-2-yl]methyl-methylamino]acetamide
CID 129334529

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3,3-dimethylbutyl)morpholin-2-yl]methyl-methylamino]acetic acid?
The IUPAC name of 2-[[4-(3,3-dimethylbutyl)morpholin-2-yl]methyl-methylamino]acetic acid (CID 122043734) is 2-[[4-(3,3-dimethylbutyl)morpholin-2-yl]methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[[4-(3,3-dimethylbutyl)morpholin-2-yl]methyl-methylamino]acetic acid?
The canonical SMILES for 2-[[4-(3,3-dimethylbutyl)morpholin-2-yl]methyl-methylamino]acetic acid is CN(CC(=O)O)CC1CN(CCC(C)(C)C)CCO1.
What is the InChIKey of 2-[[4-(3,3-dimethylbutyl)morpholin-2-yl]methyl-methylamino]acetic acid?
The InChIKey is OZMDKSLZLGGIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-14(2,3)5-6-16-7-8-19-12(10-16)9-15(4)11-13(17)18/h12H,5-11H2,1-4H3,(H,17,18).
What are the key properties of 2-[[4-(3,3-dimethylbutyl)morpholin-2-yl]methyl-methylamino]acetic acid?
2-[[4-(3,3-dimethylbutyl)morpholin-2-yl]methyl-methylamino]acetic acid has a molecular weight of 272.39 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3,3-dimethylbutyl)morpholin-2-yl]methyl-methylamino]acetic acid is sourced from PubChem (CID 122043734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).