2-[2-[(cyclopropylmethylamino)methyl]piperidin-1-yl]acetic acid

C12H22N2O2 — CID 121230281

IUPAC2-[2-[(cyclopropylmethylamino)methyl]piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCCCC1CNCC1CC1
InChIInChI=1S/C12H22N2O2/c15-12(16)9-14-6-2-1-3-11(14)8-13-7-10-4-5-10/h10-11,13H,1-9H2,(H,15,16)
InChIKeyIBQARVYEEPFVQG-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.93
Rot. Bonds6

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

2-[2-[(cyclopropylmethylamino)methyl]piperidin-1-yl]acetic acid (PubChem CID 121230281) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-[2-[(cyclopropylmethylamino)methyl]piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(cyclopropylmethylamino)methyl]piperidin-1-yl]acetic acid
PubChem CID121230281
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-[2-[(cyclopropylmethylamino)methyl]piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCCCC1CNCC1CC1
InChIInChI=1S/C12H22N2O2/c15-12(16)9-14-6-2-1-3-11(14)8-13-7-10-4-5-10/h10-11,13H,1-9H2,(H,15,16)
InChIKeyIBQARVYEEPFVQG-UHFFFAOYSA-N
XLogP0.93
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(acetamidomethyl)piperidin-1-yl]acetic acid
CID 66567736
2-[(2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]acetic acid
CID 96553784
2-[2-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]pyrrolidin-1-yl]acetic acid
CID 121230344
2-[2-[(cyclopentylmethylamino)methyl]piperidin-1-yl]ethanamine
CID 19845944
2-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]-N-propan-2-ylacetamide
CID 63855304
2-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]-1-piperidin-1-ylethanone
CID 63854605
2-[(2R)-2-(phenylmethoxycarbonylaminomethyl)pyrrolidin-1-yl]acetic acid
CID 96554064
N,N-dimethyl-2-[2-(propylaminomethyl)piperidin-1-yl]acetamide
CID 63847147
N-cyclohexyl-2-[2-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 63847125
2-[1-[2-(2-acetylhydrazinyl)-2-oxoethyl]piperidin-2-yl]acetic acid
CID 54899300
2-[1-[2-(carbamoylamino)-2-oxoethyl]piperidin-2-yl]acetic acid
CID 54899672
2-[1-(2-oxo-2-piperidin-1-ylethyl)piperidin-2-yl]acetic acid
CID 54899772

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(cyclopropylmethylamino)methyl]piperidin-1-yl]acetic acid?
The IUPAC name of 2-[2-[(cyclopropylmethylamino)methyl]piperidin-1-yl]acetic acid (CID 121230281) is 2-[2-[(cyclopropylmethylamino)methyl]piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[2-[(cyclopropylmethylamino)methyl]piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[2-[(cyclopropylmethylamino)methyl]piperidin-1-yl]acetic acid is O=C(O)CN1CCCCC1CNCC1CC1.
What is the InChIKey of 2-[2-[(cyclopropylmethylamino)methyl]piperidin-1-yl]acetic acid?
The InChIKey is IBQARVYEEPFVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c15-12(16)9-14-6-2-1-3-11(14)8-13-7-10-4-5-10/h10-11,13H,1-9H2,(H,15,16).
What are the key properties of 2-[2-[(cyclopropylmethylamino)methyl]piperidin-1-yl]acetic acid?
2-[2-[(cyclopropylmethylamino)methyl]piperidin-1-yl]acetic acid has a molecular weight of 226.32 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(cyclopropylmethylamino)methyl]piperidin-1-yl]acetic acid is sourced from PubChem (CID 121230281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).