methyl 2-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-2-yl]acetate

C14H26N2O3 — CID 61156720

IUPACmethyl 2-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C14H26N2O3/c1-10(2)8-12(15)14(18)16-7-5-4-6-11(16)9-13(17)19-3/h10-12H,4-9,15H2,1-3H3/t11?,12-/m0/s1
InChIKeyQKLRZVUWTFDGTB-KIYNQFGBSA-N
MW270.37 g/mol
LogP1.30
Rot. Bonds5

About methyl 2-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-2-yl]acetate

methyl 2-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-2-yl]acetate (PubChem CID 61156720) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is methyl 2-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-2-yl]acetate
PubChem CID61156720
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Namemethyl 2-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C14H26N2O3/c1-10(2)8-12(15)14(18)16-7-5-4-6-11(16)9-13(17)19-3/h10-12H,4-9,15H2,1-3H3/t11?,12-/m0/s1
InChIKeyQKLRZVUWTFDGTB-KIYNQFGBSA-N
XLogP1.30
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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
(2S)-2-amino-1-[2-(hydroxymethyl)piperidin-1-yl]-4-methylpentan-1-one
CID 61155952
(2S)-2-amino-1-(2-ethylazepan-1-yl)-4-methylpentan-1-one
CID 103832803
methyl 2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-2-yl]acetate
CID 61157077
(2S)-2-amino-1-[2-(2-hydroxyethyl)piperidin-1-yl]-4-methylpentan-1-one
CID 61149139
methyl 2-[1-[2-(carbamoylamino)-3-methylbutanoyl]piperidin-2-yl]acetate
CID 61009967
2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-4-methylpentan-1-one
CID 61409806
(2S)-2-amino-1-(2-ethylpyrrolidin-1-yl)-4-methylpentan-1-one
CID 61165353
(2R)-2-amino-1-(2-ethylpyrrolidin-1-yl)-4-methylpentan-1-one
CID 104903172
methyl 2-[1-[2-(aminomethyl)-4,4-dimethylpentanoyl]piperidin-2-yl]acetate
CID 107471714
methyl 2-[1-(5-aminohexanoyl)piperidin-2-yl]acetate
CID 82852684
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-4-methylpentanoyl]piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-2-yl]acetate (CID 61156720) is methyl 2-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-2-yl]acetate is COC(=O)CC1CCCCN1C(=O)[C@@H](N)CC(C)C.
What is the InChIKey of methyl 2-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-2-yl]acetate?
The InChIKey is QKLRZVUWTFDGTB-KIYNQFGBSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-10(2)8-12(15)14(18)16-7-5-4-6-11(16)9-13(17)19-3/h10-12H,4-9,15H2,1-3H3/t11?,12-/m0/s1.
What are the key properties of methyl 2-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-2-yl]acetate?
methyl 2-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-2-yl]acetate has a molecular weight of 270.37 g/mol, XLogP of 1.30, 5 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-4-methylpentanoyl]piperidin-2-yl]acetate is sourced from PubChem (CID 61156720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).