2-[[(2S)-1-acetylpiperidin-2-yl]methyl-cyclopropylamino]acetic acid

C13H22N2O3 — CID 96553154

IUPAC2-[[(2S)-1-acetylpiperidin-2-yl]methyl-cyclopropylamino]acetic acid
SMILESCC(=O)N1CCCC[C@H]1CN(CC(=O)O)C1CC1
InChIInChI=1S/C13H22N2O3/c1-10(16)15-7-3-2-4-12(15)8-14(9-13(17)18)11-5-6-11/h11-12H,2-9H2,1H3,(H,17,18)/t12-/m0/s1
InChIKeyRYTWNTJQHZGYQQ-LBPRGKRZSA-N
MW254.33 g/mol
LogP0.94
Rot. Bonds5

About 2-[[(2S)-1-acetylpiperidin-2-yl]methyl-cyclopropylamino]acetic acid

2-[[(2S)-1-acetylpiperidin-2-yl]methyl-cyclopropylamino]acetic acid (PubChem CID 96553154) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[[(2S)-1-acetylpiperidin-2-yl]methyl-cyclopropylamino]acetic acid.

Molecular Properties

Compound Name2-[[(2S)-1-acetylpiperidin-2-yl]methyl-cyclopropylamino]acetic acid
PubChem CID96553154
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-[[(2S)-1-acetylpiperidin-2-yl]methyl-cyclopropylamino]acetic acid
SMILESCC(=O)N1CCCC[C@H]1CN(CC(=O)O)C1CC1
InChIInChI=1S/C13H22N2O3/c1-10(16)15-7-3-2-4-12(15)8-14(9-13(17)18)11-5-6-11/h11-12H,2-9H2,1H3,(H,17,18)/t12-/m0/s1
InChIKeyRYTWNTJQHZGYQQ-LBPRGKRZSA-N
XLogP0.94
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]amino]acetic acid
CID 66564619
2-[(1-acetylpyrrolidin-2-yl)methyl-propan-2-ylamino]acetic acid
CID 66565397
1-(2-ethylazepan-1-yl)ethanone
CID 115642380
2-[cyclopentyl(cyclopentylmethyl)amino]acetic acid
CID 61342644
2-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]-cyclopropylamino]acetic acid
CID 60834199
2-[cyclopentyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]acetic acid
CID 60834292
1-[(2R)-2-(methylaminomethyl)piperidin-1-yl]ethanone
CID 95037259
2-[[(2R)-1-benzylpyrrolidin-2-yl]methyl-cyclopropylamino]acetic acid
CID 96552797
2-[cyclopentyl-(2-ethylpiperidine-1-carbonyl)amino]acetic acid
CID 61195643
1-[(2S)-2-prop-2-enylpiperidin-1-yl]ethanone
CID 93476405
2-[cyclopropyl-(2-oxo-2-piperidin-1-ylethyl)amino]acetic acid
CID 54945212
1-(2-prop-2-enylpiperidin-1-yl)ethanone
CID 11116438

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-1-acetylpiperidin-2-yl]methyl-cyclopropylamino]acetic acid?
The IUPAC name of 2-[[(2S)-1-acetylpiperidin-2-yl]methyl-cyclopropylamino]acetic acid (CID 96553154) is 2-[[(2S)-1-acetylpiperidin-2-yl]methyl-cyclopropylamino]acetic acid.
What is the SMILES notation for 2-[[(2S)-1-acetylpiperidin-2-yl]methyl-cyclopropylamino]acetic acid?
The canonical SMILES for 2-[[(2S)-1-acetylpiperidin-2-yl]methyl-cyclopropylamino]acetic acid is CC(=O)N1CCCC[C@H]1CN(CC(=O)O)C1CC1.
What is the InChIKey of 2-[[(2S)-1-acetylpiperidin-2-yl]methyl-cyclopropylamino]acetic acid?
The InChIKey is RYTWNTJQHZGYQQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-10(16)15-7-3-2-4-12(15)8-14(9-13(17)18)11-5-6-11/h11-12H,2-9H2,1H3,(H,17,18)/t12-/m0/s1.
What are the key properties of 2-[[(2S)-1-acetylpiperidin-2-yl]methyl-cyclopropylamino]acetic acid?
2-[[(2S)-1-acetylpiperidin-2-yl]methyl-cyclopropylamino]acetic acid has a molecular weight of 254.33 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-1-acetylpiperidin-2-yl]methyl-cyclopropylamino]acetic acid is sourced from PubChem (CID 96553154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).