2-[(1-acetylpiperidin-4-yl)methyl-propan-2-ylamino]acetic acid

C13H24N2O3 — CID 66565406

IUPAC2-[(1-acetylpiperidin-4-yl)methyl-propan-2-ylamino]acetic acid
SMILESCC(=O)N1CCC(CN(CC(=O)O)C(C)C)CC1
InChIInChI=1S/C13H24N2O3/c1-10(2)15(9-13(17)18)8-12-4-6-14(7-5-12)11(3)16/h10,12H,4-9H2,1-3H3,(H,17,18)
InChIKeyXUUMCFMMXYDYAT-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.04
Rot. Bonds5

About 2-[(1-acetylpiperidin-4-yl)methyl-propan-2-ylamino]acetic acid

2-[(1-acetylpiperidin-4-yl)methyl-propan-2-ylamino]acetic acid (PubChem CID 66565406) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[(1-acetylpiperidin-4-yl)methyl-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(1-acetylpiperidin-4-yl)methyl-propan-2-ylamino]acetic acid
PubChem CID66565406
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[(1-acetylpiperidin-4-yl)methyl-propan-2-ylamino]acetic acid
SMILESCC(=O)N1CCC(CN(CC(=O)O)C(C)C)CC1
InChIInChI=1S/C13H24N2O3/c1-10(2)15(9-13(17)18)8-12-4-6-14(7-5-12)11(3)16/h10,12H,4-9H2,1-3H3,(H,17,18)
InChIKeyXUUMCFMMXYDYAT-UHFFFAOYSA-N
XLogP1.04
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(3R)-1-acetylpyrrolidin-3-yl]methyl-propan-2-ylamino]acetic acid
CID 96553143
2-[(1-acetylpyrrolidin-2-yl)methyl-propan-2-ylamino]acetic acid
CID 66565397
1-[(3S)-3-[[2-hydroxyethyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]ethanone
CID 96553193
1-[3-[[2-aminoethyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]ethanone
CID 66565532
2-[cyclopropylmethyl-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]acetic acid
CID 43656828
2-[(3,3-difluorocyclobutyl)methyl-propan-2-ylamino]acetic acid
CID 167948584
2-[propan-2-yl(thiolan-3-ylmethyl)amino]acetic acid
CID 107133659
1-[cyclopropylmethyl(propan-2-yl)amino]-3-methylbutan-2-one
CID 79396006
2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]-propan-2-ylamino]acetic acid
CID 64598633
2-[cyclopropylmethyl-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]amino]acetic acid
CID 43656845
2-[(4-methylmorpholin-2-yl)methyl-propan-2-ylamino]acetic acid
CID 79182955
2-[[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-ethylamino]acetic acid
CID 54986151

Frequently Asked Questions

What is the IUPAC name of 2-[(1-acetylpiperidin-4-yl)methyl-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[(1-acetylpiperidin-4-yl)methyl-propan-2-ylamino]acetic acid (CID 66565406) is 2-[(1-acetylpiperidin-4-yl)methyl-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(1-acetylpiperidin-4-yl)methyl-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(1-acetylpiperidin-4-yl)methyl-propan-2-ylamino]acetic acid is CC(=O)N1CCC(CN(CC(=O)O)C(C)C)CC1.
What is the InChIKey of 2-[(1-acetylpiperidin-4-yl)methyl-propan-2-ylamino]acetic acid?
The InChIKey is XUUMCFMMXYDYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-10(2)15(9-13(17)18)8-12-4-6-14(7-5-12)11(3)16/h10,12H,4-9H2,1-3H3,(H,17,18).
What are the key properties of 2-[(1-acetylpiperidin-4-yl)methyl-propan-2-ylamino]acetic acid?
2-[(1-acetylpiperidin-4-yl)methyl-propan-2-ylamino]acetic acid has a molecular weight of 256.35 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-acetylpiperidin-4-yl)methyl-propan-2-ylamino]acetic acid is sourced from PubChem (CID 66565406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).