2-[[1-(3-methoxy-3-methylbutanoyl)piperidin-3-yl]methylamino]acetic acid

C14H26N2O4 — CID 106813693

IUPAC2-[[1-(3-methoxy-3-methylbutanoyl)piperidin-3-yl]methylamino]acetic acid
SMILESCOC(C)(C)CC(=O)N1CCCC(CNCC(=O)O)C1
InChIInChI=1S/C14H26N2O4/c1-14(2,20-3)7-12(17)16-6-4-5-11(10-16)8-15-9-13(18)19/h11,15H,4-10H2,1-3H3,(H,18,19)
InChIKeyNTEKMUOKBQYPSV-UHFFFAOYSA-N
MW286.37 g/mol
LogP0.71
Rot. Bonds7

About 2-[[1-(3-methoxy-3-methylbutanoyl)piperidin-3-yl]methylamino]acetic acid

2-[[1-(3-methoxy-3-methylbutanoyl)piperidin-3-yl]methylamino]acetic acid (PubChem CID 106813693) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-[[1-(3-methoxy-3-methylbutanoyl)piperidin-3-yl]methylamino]acetic acid.

Molecular Properties

Compound Name2-[[1-(3-methoxy-3-methylbutanoyl)piperidin-3-yl]methylamino]acetic acid
PubChem CID106813693
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name2-[[1-(3-methoxy-3-methylbutanoyl)piperidin-3-yl]methylamino]acetic acid
SMILESCOC(C)(C)CC(=O)N1CCCC(CNCC(=O)O)C1
InChIInChI=1S/C14H26N2O4/c1-14(2,20-3)7-12(17)16-6-4-5-11(10-16)8-15-9-13(18)19/h11,15H,4-10H2,1-3H3,(H,18,19)
InChIKeyNTEKMUOKBQYPSV-UHFFFAOYSA-N
XLogP0.71
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[1-(3-methoxy-3-methylbutanoyl)piperidin-3-yl]methylamino]acetic acid with MolForge

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Related Compounds

1-(3-aminopiperidin-1-yl)-3-methoxy-3-methylbutan-1-one
CID 103017160
1-(3-aminopyrrolidin-1-yl)-3-methoxy-3-methylbutan-1-one
CID 103021399
N-[[1-[2-(cyclopropylmethylamino)acetyl]piperidin-3-yl]methyl]-2,2-dimethylpropanamide
CID 119779313
2-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-3-yl]acetic acid
CID 62689796
2-(cyclopropylmethylamino)-1-[3-(methoxymethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119781761
3,3,3-trifluoro-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 61206563
3-[1-(3-methoxy-3-methylbutanoyl)piperidin-4-yl]propanoic acid
CID 103018528
2-[[1-(2-methylcyclopentanecarbonyl)piperidin-3-yl]methylamino]acetic acid
CID 107181189
2-[[1-(bicyclo[3.1.0]hexane-3-carbonyl)piperidin-3-yl]methylamino]acetic acid
CID 106813626
2-[[1-(butylcarbamoyl)piperidin-3-yl]methylamino]acetic acid
CID 106813711
2-[[1-[2-(cyclohexen-1-yl)acetyl]piperidin-3-yl]methylamino]acetic acid
CID 106813470
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-methoxy-3-methylbutan-1-one
CID 103021623

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-methoxy-3-methylbutanoyl)piperidin-3-yl]methylamino]acetic acid?
The IUPAC name of 2-[[1-(3-methoxy-3-methylbutanoyl)piperidin-3-yl]methylamino]acetic acid (CID 106813693) is 2-[[1-(3-methoxy-3-methylbutanoyl)piperidin-3-yl]methylamino]acetic acid.
What is the SMILES notation for 2-[[1-(3-methoxy-3-methylbutanoyl)piperidin-3-yl]methylamino]acetic acid?
The canonical SMILES for 2-[[1-(3-methoxy-3-methylbutanoyl)piperidin-3-yl]methylamino]acetic acid is COC(C)(C)CC(=O)N1CCCC(CNCC(=O)O)C1.
What is the InChIKey of 2-[[1-(3-methoxy-3-methylbutanoyl)piperidin-3-yl]methylamino]acetic acid?
The InChIKey is NTEKMUOKBQYPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-14(2,20-3)7-12(17)16-6-4-5-11(10-16)8-15-9-13(18)19/h11,15H,4-10H2,1-3H3,(H,18,19).
What are the key properties of 2-[[1-(3-methoxy-3-methylbutanoyl)piperidin-3-yl]methylamino]acetic acid?
2-[[1-(3-methoxy-3-methylbutanoyl)piperidin-3-yl]methylamino]acetic acid has a molecular weight of 286.37 g/mol, XLogP of 0.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-methoxy-3-methylbutanoyl)piperidin-3-yl]methylamino]acetic acid is sourced from PubChem (CID 106813693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).