2-[(3S)-3-(4-methylpiperidin-1-yl)-2-oxopiperidin-1-yl]acetic acid

C13H22N2O3 — CID 124848989

IUPAC2-[(3S)-3-(4-methylpiperidin-1-yl)-2-oxopiperidin-1-yl]acetic acid
SMILESCC1CCN([C@H]2CCCN(CC(=O)O)C2=O)CC1
InChIInChI=1S/C13H22N2O3/c1-10-4-7-14(8-5-10)11-3-2-6-15(13(11)18)9-12(16)17/h10-11H,2-9H2,1H3,(H,16,17)/t11-/m0/s1
InChIKeyNUSORDGUAMTZKR-NSHDSACASA-N
MW254.33 g/mol
LogP0.79
Rot. Bonds3

About 2-[(3S)-3-(4-methylpiperidin-1-yl)-2-oxopiperidin-1-yl]acetic acid

2-[(3S)-3-(4-methylpiperidin-1-yl)-2-oxopiperidin-1-yl]acetic acid (PubChem CID 124848989) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[(3S)-3-(4-methylpiperidin-1-yl)-2-oxopiperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(3S)-3-(4-methylpiperidin-1-yl)-2-oxopiperidin-1-yl]acetic acid
PubChem CID124848989
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-[(3S)-3-(4-methylpiperidin-1-yl)-2-oxopiperidin-1-yl]acetic acid
SMILESCC1CCN([C@H]2CCCN(CC(=O)O)C2=O)CC1
InChIInChI=1S/C13H22N2O3/c1-10-4-7-14(8-5-10)11-3-2-6-15(13(11)18)9-12(16)17/h10-11H,2-9H2,1H3,(H,16,17)/t11-/m0/s1
InChIKeyNUSORDGUAMTZKR-NSHDSACASA-N
XLogP0.79
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-(4-methylpiperidin-1-yl)-2-oxopiperidin-1-yl]acetic acid?
The IUPAC name of 2-[(3S)-3-(4-methylpiperidin-1-yl)-2-oxopiperidin-1-yl]acetic acid (CID 124848989) is 2-[(3S)-3-(4-methylpiperidin-1-yl)-2-oxopiperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[(3S)-3-(4-methylpiperidin-1-yl)-2-oxopiperidin-1-yl]acetic acid?
The canonical SMILES for 2-[(3S)-3-(4-methylpiperidin-1-yl)-2-oxopiperidin-1-yl]acetic acid is CC1CCN([C@H]2CCCN(CC(=O)O)C2=O)CC1.
What is the InChIKey of 2-[(3S)-3-(4-methylpiperidin-1-yl)-2-oxopiperidin-1-yl]acetic acid?
The InChIKey is NUSORDGUAMTZKR-NSHDSACASA-N. The full InChI is InChI=1S/C13H22N2O3/c1-10-4-7-14(8-5-10)11-3-2-6-15(13(11)18)9-12(16)17/h10-11H,2-9H2,1H3,(H,16,17)/t11-/m0/s1.
What are the key properties of 2-[(3S)-3-(4-methylpiperidin-1-yl)-2-oxopiperidin-1-yl]acetic acid?
2-[(3S)-3-(4-methylpiperidin-1-yl)-2-oxopiperidin-1-yl]acetic acid has a molecular weight of 254.33 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-(4-methylpiperidin-1-yl)-2-oxopiperidin-1-yl]acetic acid is sourced from PubChem (CID 124848989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).