1-(2-amino-4-methoxybutanoyl)piperidine-3-carboxylic acid

C11H20N2O4 — CID 62475203

IUPAC1-(2-amino-4-methoxybutanoyl)piperidine-3-carboxylic acid
SMILESCOCCC(N)C(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C11H20N2O4/c1-17-6-4-9(12)10(14)13-5-2-3-8(7-13)11(15)16/h8-9H,2-7,12H2,1H3,(H,15,16)
InChIKeyILDMCZMMIBAHSV-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.33
Rot. Bonds5

About 1-(2-amino-4-methoxybutanoyl)piperidine-3-carboxylic acid

1-(2-amino-4-methoxybutanoyl)piperidine-3-carboxylic acid (PubChem CID 62475203) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-(2-amino-4-methoxybutanoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-amino-4-methoxybutanoyl)piperidine-3-carboxylic acid
PubChem CID62475203
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name1-(2-amino-4-methoxybutanoyl)piperidine-3-carboxylic acid
SMILESCOCCC(N)C(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C11H20N2O4/c1-17-6-4-9(12)10(14)13-5-2-3-8(7-13)11(15)16/h8-9H,2-7,12H2,1H3,(H,15,16)
InChIKeyILDMCZMMIBAHSV-UHFFFAOYSA-N
XLogP-0.33
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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-(2-amino-5-methoxypentanoyl)piperidine-3-carboxamide
CID 81081411
1-[(2R)-2-amino-4-methylsulfanylbutanoyl]piperidine-3-carboxylic acid
CID 104907990
(3S)-1-[(2S)-2-amino-4-methylsulfanylbutanoyl]piperidine-3-carboxylic acid
CID 81125404
1-(2-amino-3-carboxypropanoyl)piperidine-3-carboxylic acid
CID 64897100
1-(2-amino-3-methoxypropanoyl)piperidine-3-carboxamide
CID 81081318
2-amino-4-methoxy-1-(3-propoxypiperidin-1-yl)butan-1-one
CID 62473426
2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methoxybutan-1-one
CID 107217277
1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidine-3-carboxylic acid
CID 61157542
2-amino-4-methoxy-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 62472696
1-[(2R)-2-aminopentanoyl]pyrrolidine-3-carboxylic acid
CID 103848580
(3R)-1-[2-(2-methoxyethoxy)acetyl]piperidine-3-carboxylic acid
CID 81118783
1-[2-(2-methoxyethoxy)acetyl]piperidine-3-carboxylic acid
CID 43355934

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-methoxybutanoyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(2-amino-4-methoxybutanoyl)piperidine-3-carboxylic acid (CID 62475203) is 1-(2-amino-4-methoxybutanoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-amino-4-methoxybutanoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-amino-4-methoxybutanoyl)piperidine-3-carboxylic acid is COCCC(N)C(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-(2-amino-4-methoxybutanoyl)piperidine-3-carboxylic acid?
The InChIKey is ILDMCZMMIBAHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-17-6-4-9(12)10(14)13-5-2-3-8(7-13)11(15)16/h8-9H,2-7,12H2,1H3,(H,15,16).
What are the key properties of 1-(2-amino-4-methoxybutanoyl)piperidine-3-carboxylic acid?
1-(2-amino-4-methoxybutanoyl)piperidine-3-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of -0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-methoxybutanoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 62475203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).