1-(3-amino-2-methoxypropanoyl)-3-methylpiperidine-3-carboxylic acid

C11H20N2O4 — CID 114145091

IUPAC1-(3-amino-2-methoxypropanoyl)-3-methylpiperidine-3-carboxylic acid
SMILESCOC(CN)C(=O)N1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C11H20N2O4/c1-11(10(15)16)4-3-5-13(7-11)9(14)8(6-12)17-2/h8H,3-7,12H2,1-2H3,(H,15,16)
InChIKeyYBDHMNKDZRFLAA-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.33
Rot. Bonds4

About 1-(3-amino-2-methoxypropanoyl)-3-methylpiperidine-3-carboxylic acid

1-(3-amino-2-methoxypropanoyl)-3-methylpiperidine-3-carboxylic acid (PubChem CID 114145091) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-(3-amino-2-methoxypropanoyl)-3-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-amino-2-methoxypropanoyl)-3-methylpiperidine-3-carboxylic acid
PubChem CID114145091
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name1-(3-amino-2-methoxypropanoyl)-3-methylpiperidine-3-carboxylic acid
SMILESCOC(CN)C(=O)N1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C11H20N2O4/c1-11(10(15)16)4-3-5-13(7-11)9(14)8(6-12)17-2/h8H,3-7,12H2,1-2H3,(H,15,16)
InChIKeyYBDHMNKDZRFLAA-UHFFFAOYSA-N
XLogP-0.33
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-amino-2-methoxypropanoyl)-3-ethylpiperidine-3-carboxylic acid
CID 106112823
1-[2-(aminomethyl)butanoyl]-3-methylpiperidine-3-carboxylic acid
CID 65228066
1-(3-amino-2-methoxypropanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106114108
1-(2-ethylbutanoyl)-3-methylpiperidine-3-carboxylic acid
CID 63133956
1-[(2S)-2-amino-3-phenylpropanoyl]-3-methylpiperidine-3-carboxylic acid
CID 63134188
1-[2-(carbamoylamino)-3-methylbutanoyl]-3-methylpiperidine-3-carboxylic acid
CID 63134105
7-(3-amino-2-methoxypropanoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 106113360
3-methyl-1-[2-(propylsulfonylamino)propanoyl]piperidine-3-carboxylic acid
CID 63133758
1-[2-(1-aminocyclohexyl)acetyl]-3-methylpiperidine-3-carboxylic acid
CID 64677649
1-(dimethylcarbamoyl)-3-methylpiperidine-3-carboxylic acid
CID 63136050
3-amino-1-(4-hydroxypiperidin-1-yl)-2-methoxypropan-1-one
CID 106111138
1-amino-3-methylpiperidine-3-carboxylic acid
CID 151231433

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-methoxypropanoyl)-3-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(3-amino-2-methoxypropanoyl)-3-methylpiperidine-3-carboxylic acid (CID 114145091) is 1-(3-amino-2-methoxypropanoyl)-3-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-amino-2-methoxypropanoyl)-3-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(3-amino-2-methoxypropanoyl)-3-methylpiperidine-3-carboxylic acid is COC(CN)C(=O)N1CCCC(C)(C(=O)O)C1.
What is the InChIKey of 1-(3-amino-2-methoxypropanoyl)-3-methylpiperidine-3-carboxylic acid?
The InChIKey is YBDHMNKDZRFLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-11(10(15)16)4-3-5-13(7-11)9(14)8(6-12)17-2/h8H,3-7,12H2,1-2H3,(H,15,16).
What are the key properties of 1-(3-amino-2-methoxypropanoyl)-3-methylpiperidine-3-carboxylic acid?
1-(3-amino-2-methoxypropanoyl)-3-methylpiperidine-3-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of -0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-methoxypropanoyl)-3-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 114145091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).