methyl 2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-2-yl]acetate

C14H26N2O3 — CID 61157077

IUPACmethyl 2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C14H26N2O3/c1-14(2,3)12(15)13(18)16-8-6-5-7-10(16)9-11(17)19-4/h10,12H,5-9,15H2,1-4H3/t10?,12-/m1/s1
InChIKeyFZEBKTHWKXTLHD-TVKKRMFBSA-N
MW270.37 g/mol
LogP1.30
Rot. Bonds3

About methyl 2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-2-yl]acetate

methyl 2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-2-yl]acetate (PubChem CID 61157077) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is methyl 2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-2-yl]acetate
PubChem CID61157077
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Namemethyl 2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C14H26N2O3/c1-14(2,3)12(15)13(18)16-8-6-5-7-10(16)9-11(17)19-4/h10,12H,5-9,15H2,1-4H3/t10?,12-/m1/s1
InChIKeyFZEBKTHWKXTLHD-TVKKRMFBSA-N
XLogP1.30
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[1-(2-aminobutanoyl)piperidin-2-yl]acetate
CID 54916660
methyl 2-[1-[2-(aminomethyl)-4,4-dimethylpentanoyl]piperidin-2-yl]acetate
CID 107471714
2-[1-[(2R)-2-amino-3,3-dimethylbutanoyl]pyrrolidin-2-yl]acetic acid
CID 103929702
methyl 2-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-2-yl]acetate
CID 61156720
methyl 2-[1-[2-(carbamoylamino)-3-methylbutanoyl]piperidin-2-yl]acetate
CID 61009967
2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 68920514
(2S)-2-amino-1-(2-ethylpyrrolidin-1-yl)-3,3-dimethylbutan-1-one
CID 61165533
methyl 2-[1-(3-amino-2,2-dimethylpropanoyl)piperidin-2-yl]acetate
CID 115426493
methyl 2-[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]-2-oxoacetate
CID 20713862
methyl 2-[1-(5-aminohexanoyl)piperidin-2-yl]acetate
CID 82852684
methyl 2-[1-(2-amino-2-thiophen-2-ylacetyl)piperidin-2-yl]acetate
CID 115286826
methyl 2-[1-(dimethylcarbamoyl)piperidin-2-yl]acetate
CID 79154755

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-2-yl]acetate (CID 61157077) is methyl 2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-2-yl]acetate is COC(=O)CC1CCCCN1C(=O)[C@@H](N)C(C)(C)C.
What is the InChIKey of methyl 2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-2-yl]acetate?
The InChIKey is FZEBKTHWKXTLHD-TVKKRMFBSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-14(2,3)12(15)13(18)16-8-6-5-7-10(16)9-11(17)19-4/h10,12H,5-9,15H2,1-4H3/t10?,12-/m1/s1.
What are the key properties of methyl 2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-2-yl]acetate?
methyl 2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-2-yl]acetate has a molecular weight of 270.37 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-2-yl]acetate is sourced from PubChem (CID 61157077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).