2-[(2S)-1-[2-(2-methylpropylamino)-2-oxoethyl]piperidin-2-yl]acetic acid

C13H24N2O3 — CID 93438414

IUPAC2-[(2S)-1-[2-(2-methylpropylamino)-2-oxoethyl]piperidin-2-yl]acetic acid
SMILESCC(C)CNC(=O)CN1CCCC[C@H]1CC(=O)O
InChIInChI=1S/C13H24N2O3/c1-10(2)8-14-12(16)9-15-6-4-3-5-11(15)7-13(17)18/h10-11H,3-9H2,1-2H3,(H,14,16)(H,17,18)/t11-/m0/s1
InChIKeyQBPSAIFSPNRJLY-NSHDSACASA-N
MW256.35 g/mol
LogP1.09
Rot. Bonds6

About 2-[(2S)-1-[2-(2-methylpropylamino)-2-oxoethyl]piperidin-2-yl]acetic acid

2-[(2S)-1-[2-(2-methylpropylamino)-2-oxoethyl]piperidin-2-yl]acetic acid (PubChem CID 93438414) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[(2S)-1-[2-(2-methylpropylamino)-2-oxoethyl]piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S)-1-[2-(2-methylpropylamino)-2-oxoethyl]piperidin-2-yl]acetic acid
PubChem CID93438414
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[(2S)-1-[2-(2-methylpropylamino)-2-oxoethyl]piperidin-2-yl]acetic acid
SMILESCC(C)CNC(=O)CN1CCCC[C@H]1CC(=O)O
InChIInChI=1S/C13H24N2O3/c1-10(2)8-14-12(16)9-15-6-4-3-5-11(15)7-13(17)18/h10-11H,3-9H2,1-2H3,(H,14,16)(H,17,18)/t11-/m0/s1
InChIKeyQBPSAIFSPNRJLY-NSHDSACASA-N
XLogP1.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[1-[2-(2-methylpropylamino)-2-oxoethyl]piperidin-2-yl]acetate
CID 61360608
2-[1-[2-(2-acetylhydrazinyl)-2-oxoethyl]piperidin-2-yl]acetic acid
CID 54899300
2-[1-[2-oxo-2-(propylamino)ethyl]pyrrolidin-2-yl]acetic acid
CID 61370340
2-[1-[2-(carbamoylamino)-2-oxoethyl]piperidin-2-yl]acetic acid
CID 54899672
2-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]-N-propan-2-ylacetamide
CID 63855304
N-(2-methylpropyl)-2-[(2R)-2-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 94778620
2-[1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidin-2-yl]acetic acid
CID 54899773
2-[1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidin-2-yl]acetic acid
CID 54899533
N-(2-methylpropyl)-2-[2-[1-(propylamino)ethyl]piperidin-1-yl]acetamide
CID 63854873
2-[1-[2-oxo-2-(propylcarbamoylamino)ethyl]pyrrolidin-2-yl]acetic acid
CID 61370516
2-[1-(2-oxo-2-piperidin-1-ylethyl)piperidin-2-yl]acetic acid
CID 54899772
2-[1-[3-(methylamino)-3-oxopropyl]piperidin-2-yl]acetic acid
CID 62325216

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[2-(2-methylpropylamino)-2-oxoethyl]piperidin-2-yl]acetic acid?
The IUPAC name of 2-[(2S)-1-[2-(2-methylpropylamino)-2-oxoethyl]piperidin-2-yl]acetic acid (CID 93438414) is 2-[(2S)-1-[2-(2-methylpropylamino)-2-oxoethyl]piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2S)-1-[2-(2-methylpropylamino)-2-oxoethyl]piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[(2S)-1-[2-(2-methylpropylamino)-2-oxoethyl]piperidin-2-yl]acetic acid is CC(C)CNC(=O)CN1CCCC[C@H]1CC(=O)O.
What is the InChIKey of 2-[(2S)-1-[2-(2-methylpropylamino)-2-oxoethyl]piperidin-2-yl]acetic acid?
The InChIKey is QBPSAIFSPNRJLY-NSHDSACASA-N. The full InChI is InChI=1S/C13H24N2O3/c1-10(2)8-14-12(16)9-15-6-4-3-5-11(15)7-13(17)18/h10-11H,3-9H2,1-2H3,(H,14,16)(H,17,18)/t11-/m0/s1.
What are the key properties of 2-[(2S)-1-[2-(2-methylpropylamino)-2-oxoethyl]piperidin-2-yl]acetic acid?
2-[(2S)-1-[2-(2-methylpropylamino)-2-oxoethyl]piperidin-2-yl]acetic acid has a molecular weight of 256.35 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[2-(2-methylpropylamino)-2-oxoethyl]piperidin-2-yl]acetic acid is sourced from PubChem (CID 93438414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).