1-[1-(3-amino-2-methoxypropanoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid

C14H25N3O4 — CID 106112353

IUPAC1-[1-(3-amino-2-methoxypropanoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
SMILESCOC(CN)C(=O)N1CCC(N2CCCC2C(=O)O)CC1
InChIInChI=1S/C14H25N3O4/c1-21-12(9-15)13(18)16-7-4-10(5-8-16)17-6-2-3-11(17)14(19)20/h10-12H,2-9,15H2,1H3,(H,19,20)
InChIKeyLNSOANJTNKDWST-UHFFFAOYSA-N
MW299.37 g/mol
LogP-0.50
Rot. Bonds5

About 1-[1-(3-amino-2-methoxypropanoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid

1-[1-(3-amino-2-methoxypropanoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid (PubChem CID 106112353) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-[1-(3-amino-2-methoxypropanoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(3-amino-2-methoxypropanoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
PubChem CID106112353
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name1-[1-(3-amino-2-methoxypropanoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
SMILESCOC(CN)C(=O)N1CCC(N2CCCC2C(=O)O)CC1
InChIInChI=1S/C14H25N3O4/c1-21-12(9-15)13(18)16-7-4-10(5-8-16)17-6-2-3-11(17)14(19)20/h10-12H,2-9,15H2,1H3,(H,19,20)
InChIKeyLNSOANJTNKDWST-UHFFFAOYSA-N
XLogP-0.50
TPSA96.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(4-amino-2-methylbutanoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 80542423
1-[1-(2-ethylbutanoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 61020096
3-amino-1-(4-hydroxypiperidin-1-yl)-2-methoxypropan-1-one
CID 106111138
1-[1-(2-methylpentanoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 61020562
3-amino-1-[4-(diethylamino)piperidin-1-yl]-2-methoxypropan-1-one
CID 114145012
3-amino-1-(3-hydroxypiperidin-1-yl)-2-methoxypropan-1-one
CID 106111292
1-[1-[2-(propan-2-ylamino)acetyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 61159988
(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid
CID 51892046
1-[1-(dimethylcarbamoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 61195156
1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 61019409
(2R)-1-[(2R,5S)-6-[(2R)-2-carboxypyrrolidin-1-yl]-2,5-dimethoxy-6-oxohexanoyl]pyrrolidine-2-carboxylic acid
CID 57302101
(2S)-1-cyclohexylpyrrolidine-2-carboxylic acid;hydrochloride
CID 141195485

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-amino-2-methoxypropanoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[1-(3-amino-2-methoxypropanoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid (CID 106112353) is 1-[1-(3-amino-2-methoxypropanoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(3-amino-2-methoxypropanoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[1-(3-amino-2-methoxypropanoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid is COC(CN)C(=O)N1CCC(N2CCCC2C(=O)O)CC1.
What is the InChIKey of 1-[1-(3-amino-2-methoxypropanoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid?
The InChIKey is LNSOANJTNKDWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-21-12(9-15)13(18)16-7-4-10(5-8-16)17-6-2-3-11(17)14(19)20/h10-12H,2-9,15H2,1H3,(H,19,20).
What are the key properties of 1-[1-(3-amino-2-methoxypropanoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid?
1-[1-(3-amino-2-methoxypropanoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid has a molecular weight of 299.37 g/mol, XLogP of -0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-amino-2-methoxypropanoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106112353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).