2-[2-(acetamidomethyl)piperidin-1-yl]acetic acid

C10H18N2O3 — CID 66567736

IUPAC2-[2-(acetamidomethyl)piperidin-1-yl]acetic acid
SMILESCC(=O)NCC1CCCCN1CC(=O)O
InChIInChI=1S/C10H18N2O3/c1-8(13)11-6-9-4-2-3-5-12(9)7-10(14)15/h9H,2-7H2,1H3,(H,11,13)(H,14,15)
InChIKeyJDAOLKKPHLPEOR-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.06
Rot. Bonds4

About 2-[2-(acetamidomethyl)piperidin-1-yl]acetic acid

2-[2-(acetamidomethyl)piperidin-1-yl]acetic acid (PubChem CID 66567736) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-[2-(acetamidomethyl)piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(acetamidomethyl)piperidin-1-yl]acetic acid
PubChem CID66567736
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-[2-(acetamidomethyl)piperidin-1-yl]acetic acid
SMILESCC(=O)NCC1CCCCN1CC(=O)O
InChIInChI=1S/C10H18N2O3/c1-8(13)11-6-9-4-2-3-5-12(9)7-10(14)15/h9H,2-7H2,1H3,(H,11,13)(H,14,15)
InChIKeyJDAOLKKPHLPEOR-UHFFFAOYSA-N
XLogP0.06
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]acetic acid
CID 96553784
2-[2-[(cyclopropylmethylamino)methyl]piperidin-1-yl]acetic acid
CID 121230281
N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methane
CID 159182126
N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methanethiol
CID 143677911
N-[(1-cyclohexylpiperidin-2-yl)methyl]acetamide
CID 70842242
2-[1-[2-(2-acetylhydrazinyl)-2-oxoethyl]piperidin-2-yl]acetic acid
CID 54899300
N-[[(2R)-1-(trifluoromethyl)piperidin-2-yl]methyl]acetamide
CID 97170906
2-[(2R)-2-(phenylmethoxycarbonylaminomethyl)pyrrolidin-1-yl]acetic acid
CID 96554064
2-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]acetic acid
CID 58530414
2-[2-(methylaminomethyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 63249944
3-amino-N-[[1-[2-(ethylamino)-2-oxoethyl]piperidin-2-yl]methyl]propanamide
CID 120967162
2-[2-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]pyrrolidin-1-yl]acetic acid
CID 121230344

Frequently Asked Questions

What is the IUPAC name of 2-[2-(acetamidomethyl)piperidin-1-yl]acetic acid?
The IUPAC name of 2-[2-(acetamidomethyl)piperidin-1-yl]acetic acid (CID 66567736) is 2-[2-(acetamidomethyl)piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[2-(acetamidomethyl)piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[2-(acetamidomethyl)piperidin-1-yl]acetic acid is CC(=O)NCC1CCCCN1CC(=O)O.
What is the InChIKey of 2-[2-(acetamidomethyl)piperidin-1-yl]acetic acid?
The InChIKey is JDAOLKKPHLPEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-8(13)11-6-9-4-2-3-5-12(9)7-10(14)15/h9H,2-7H2,1H3,(H,11,13)(H,14,15).
What are the key properties of 2-[2-(acetamidomethyl)piperidin-1-yl]acetic acid?
2-[2-(acetamidomethyl)piperidin-1-yl]acetic acid has a molecular weight of 214.26 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(acetamidomethyl)piperidin-1-yl]acetic acid is sourced from PubChem (CID 66567736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).