(2S)-2-[deuteriomethyl-[2-(4-methoxypiperidin-1-yl)-2-methylpropanoyl]amino]propanoic acid

C14H26N2O4 — CID 142602807

IUPAC(2S)-2-[deuteriomethyl-[2-(4-methoxypiperidin-1-yl)-2-methylpropanoyl]amino]propanoic acid
SMILES[2H]CN(C(=O)C(C)(C)N1CCC(OC)CC1)[C@@H](C)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-10(12(17)18)15(4)13(19)14(2,3)16-8-6-11(20-5)7-9-16/h10-11H,6-9H2,1-5H3,(H,17,18)/t10-/m0/s1/i4D
InChIKeySKYCQPFKXXBPIU-RORIYYTMSA-N
MW287.38 g/mol
LogP0.81
Rot. Bonds6

About (2S)-2-[deuteriomethyl-[2-(4-methoxypiperidin-1-yl)-2-methylpropanoyl]amino]propanoic acid

(2S)-2-[deuteriomethyl-[2-(4-methoxypiperidin-1-yl)-2-methylpropanoyl]amino]propanoic acid (PubChem CID 142602807) has the molecular formula C14H26N2O4 and a molecular weight of 287.38 g/mol. Its IUPAC name is (2S)-2-[deuteriomethyl-[2-(4-methoxypiperidin-1-yl)-2-methylpropanoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[deuteriomethyl-[2-(4-methoxypiperidin-1-yl)-2-methylpropanoyl]amino]propanoic acid
PubChem CID142602807
Molecular FormulaC14H26N2O4
Molecular Weight287.38 g/mol
Exact Mass287.20
IUPAC Name(2S)-2-[deuteriomethyl-[2-(4-methoxypiperidin-1-yl)-2-methylpropanoyl]amino]propanoic acid
SMILES[2H]CN(C(=O)C(C)(C)N1CCC(OC)CC1)[C@@H](C)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-10(12(17)18)15(4)13(19)14(2,3)16-8-6-11(20-5)7-9-16/h10-11H,6-9H2,1-5H3,(H,17,18)/t10-/m0/s1/i4D
InChIKeySKYCQPFKXXBPIU-RORIYYTMSA-N
XLogP0.81
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[deuteriomethyl-[2-(4-methoxypiperidin-1-yl)-2-methylpropanoyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[deuteriomethyl-[2-(4-methoxypiperidin-1-yl)-2-methylpropanoyl]amino]propanoic acid (CID 142602807) is (2S)-2-[deuteriomethyl-[2-(4-methoxypiperidin-1-yl)-2-methylpropanoyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[deuteriomethyl-[2-(4-methoxypiperidin-1-yl)-2-methylpropanoyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[deuteriomethyl-[2-(4-methoxypiperidin-1-yl)-2-methylpropanoyl]amino]propanoic acid is [2H]CN(C(=O)C(C)(C)N1CCC(OC)CC1)[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-[deuteriomethyl-[2-(4-methoxypiperidin-1-yl)-2-methylpropanoyl]amino]propanoic acid?
The InChIKey is SKYCQPFKXXBPIU-RORIYYTMSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-10(12(17)18)15(4)13(19)14(2,3)16-8-6-11(20-5)7-9-16/h10-11H,6-9H2,1-5H3,(H,17,18)/t10-/m0/s1/i4D.
What are the key properties of (2S)-2-[deuteriomethyl-[2-(4-methoxypiperidin-1-yl)-2-methylpropanoyl]amino]propanoic acid?
(2S)-2-[deuteriomethyl-[2-(4-methoxypiperidin-1-yl)-2-methylpropanoyl]amino]propanoic acid has a molecular weight of 287.38 g/mol, XLogP of 0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[deuteriomethyl-[2-(4-methoxypiperidin-1-yl)-2-methylpropanoyl]amino]propanoic acid is sourced from PubChem (CID 142602807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).