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

C12H22N2O4 — CID 106112823

IUPAC1-(3-amino-2-methoxypropanoyl)-3-ethylpiperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(C(=O)C(CN)OC)C1
InChIInChI=1S/C12H22N2O4/c1-3-12(11(16)17)5-4-6-14(8-12)10(15)9(7-13)18-2/h9H,3-8,13H2,1-2H3,(H,16,17)
InChIKeyJLNDADQCWAXPMW-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.06
Rot. Bonds5

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

1-(3-amino-2-methoxypropanoyl)-3-ethylpiperidine-3-carboxylic acid (PubChem CID 106112823) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(3-amino-2-methoxypropanoyl)-3-ethylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-amino-2-methoxypropanoyl)-3-ethylpiperidine-3-carboxylic acid
PubChem CID106112823
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name1-(3-amino-2-methoxypropanoyl)-3-ethylpiperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(C(=O)C(CN)OC)C1
InChIInChI=1S/C12H22N2O4/c1-3-12(11(16)17)5-4-6-14(8-12)10(15)9(7-13)18-2/h9H,3-8,13H2,1-2H3,(H,16,17)
InChIKeyJLNDADQCWAXPMW-UHFFFAOYSA-N
XLogP0.06
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-amino-2-methoxypropanoyl)-3-methylpiperidine-3-carboxylic acid
CID 114145091
1-[(2S)-2-amino-3-methylpentanoyl]-3-ethylpiperidine-3-carboxylic acid
CID 55164336
3-ethyl-1-methoxycarbonylpiperidine-3-carboxylic acid
CID 63135585
1-(3-amino-2-methoxypropanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106114108
1-(2-cyclopropylpropanoyl)-3-ethylpiperidine-3-carboxylic acid
CID 83147613
1-[2-(aminomethyl)-3-methylbutanoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 65228357
1-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]-3-ethylpiperidine-3-carboxylic acid
CID 63136901
1-[2-(aminomethyl)-4,4-dimethylpentanoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 107472114
(3R)-3-ethyl-1-(2-methylsulfanylacetyl)piperidine-3-carboxylic acid
CID 95017438
1-(3-aminopropylcarbamoyl)-3-ethylpiperidine-3-carboxylic acid
CID 63137242
1-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-propylpiperidine-3-carboxylic acid
CID 63138201
1-(2,2-difluoroacetyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 103513279

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-methoxypropanoyl)-3-ethylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(3-amino-2-methoxypropanoyl)-3-ethylpiperidine-3-carboxylic acid (CID 106112823) is 1-(3-amino-2-methoxypropanoyl)-3-ethylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-amino-2-methoxypropanoyl)-3-ethylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(3-amino-2-methoxypropanoyl)-3-ethylpiperidine-3-carboxylic acid is CCC1(C(=O)O)CCCN(C(=O)C(CN)OC)C1.
What is the InChIKey of 1-(3-amino-2-methoxypropanoyl)-3-ethylpiperidine-3-carboxylic acid?
The InChIKey is JLNDADQCWAXPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-3-12(11(16)17)5-4-6-14(8-12)10(15)9(7-13)18-2/h9H,3-8,13H2,1-2H3,(H,16,17).
What are the key properties of 1-(3-amino-2-methoxypropanoyl)-3-ethylpiperidine-3-carboxylic acid?
1-(3-amino-2-methoxypropanoyl)-3-ethylpiperidine-3-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of 0.06, 5 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-ethylpiperidine-3-carboxylic acid is sourced from PubChem (CID 106112823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).