2-[[(4S)-1-methyl-2-oxopiperidine-4-carbonyl]-propylamino]acetic acid

C12H20N2O4 — CID 129384848

IUPAC2-[[(4S)-1-methyl-2-oxopiperidine-4-carbonyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)[C@H]1CCN(C)C(=O)C1
InChIInChI=1S/C12H20N2O4/c1-3-5-14(8-11(16)17)12(18)9-4-6-13(2)10(15)7-9/h9H,3-8H2,1-2H3,(H,16,17)/t9-/m0/s1
InChIKeyGSBUJCFLYOCJAT-VIFPVBQESA-N
MW256.30 g/mol
LogP0.18
Rot. Bonds5

About 2-[[(4S)-1-methyl-2-oxopiperidine-4-carbonyl]-propylamino]acetic acid

2-[[(4S)-1-methyl-2-oxopiperidine-4-carbonyl]-propylamino]acetic acid (PubChem CID 129384848) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-[[(4S)-1-methyl-2-oxopiperidine-4-carbonyl]-propylamino]acetic acid.

Molecular Properties

Compound Name2-[[(4S)-1-methyl-2-oxopiperidine-4-carbonyl]-propylamino]acetic acid
PubChem CID129384848
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-[[(4S)-1-methyl-2-oxopiperidine-4-carbonyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)[C@H]1CCN(C)C(=O)C1
InChIInChI=1S/C12H20N2O4/c1-3-5-14(8-11(16)17)12(18)9-4-6-13(2)10(15)7-9/h9H,3-8H2,1-2H3,(H,16,17)/t9-/m0/s1
InChIKeyGSBUJCFLYOCJAT-VIFPVBQESA-N
XLogP0.18
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(4S)-1-methyl-2-oxopiperidine-4-carbonyl]-propylamino]acetic acid?
The IUPAC name of 2-[[(4S)-1-methyl-2-oxopiperidine-4-carbonyl]-propylamino]acetic acid (CID 129384848) is 2-[[(4S)-1-methyl-2-oxopiperidine-4-carbonyl]-propylamino]acetic acid.
What is the SMILES notation for 2-[[(4S)-1-methyl-2-oxopiperidine-4-carbonyl]-propylamino]acetic acid?
The canonical SMILES for 2-[[(4S)-1-methyl-2-oxopiperidine-4-carbonyl]-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)[C@H]1CCN(C)C(=O)C1.
What is the InChIKey of 2-[[(4S)-1-methyl-2-oxopiperidine-4-carbonyl]-propylamino]acetic acid?
The InChIKey is GSBUJCFLYOCJAT-VIFPVBQESA-N. The full InChI is InChI=1S/C12H20N2O4/c1-3-5-14(8-11(16)17)12(18)9-4-6-13(2)10(15)7-9/h9H,3-8H2,1-2H3,(H,16,17)/t9-/m0/s1.
What are the key properties of 2-[[(4S)-1-methyl-2-oxopiperidine-4-carbonyl]-propylamino]acetic acid?
2-[[(4S)-1-methyl-2-oxopiperidine-4-carbonyl]-propylamino]acetic acid has a molecular weight of 256.30 g/mol, XLogP of 0.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4S)-1-methyl-2-oxopiperidine-4-carbonyl]-propylamino]acetic acid is sourced from PubChem (CID 129384848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).