2-[1-[2-(cyclopropylamino)acetyl]piperidin-4-yl]acetic acid

C12H20N2O3 — CID 79615447

IUPAC2-[1-[2-(cyclopropylamino)acetyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)CNC2CC2)CC1
InChIInChI=1S/C12H20N2O3/c15-11(8-13-10-1-2-10)14-5-3-9(4-6-14)7-12(16)17/h9-10,13H,1-8H2,(H,16,17)
InChIKeyWKWCWOQVMCQSJM-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.45
Rot. Bonds5

About 2-[1-[2-(cyclopropylamino)acetyl]piperidin-4-yl]acetic acid

2-[1-[2-(cyclopropylamino)acetyl]piperidin-4-yl]acetic acid (PubChem CID 79615447) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-[1-[2-(cyclopropylamino)acetyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(cyclopropylamino)acetyl]piperidin-4-yl]acetic acid
PubChem CID79615447
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name2-[1-[2-(cyclopropylamino)acetyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)CNC2CC2)CC1
InChIInChI=1S/C12H20N2O3/c15-11(8-13-10-1-2-10)14-5-3-9(4-6-14)7-12(16)17/h9-10,13H,1-8H2,(H,16,17)
InChIKeyWKWCWOQVMCQSJM-UHFFFAOYSA-N
XLogP0.45
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-(propylamino)acetyl]piperidin-4-yl]acetic acid
CID 79615592
2-[1-[2-[(2-aminoacetyl)amino]acetyl]piperidin-4-yl]acetic acid
CID 79615805
4-[[2-(azetidin-1-yl)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 60809874
2-[4-[2-(cyclopentylamino)acetyl]piperazin-1-yl]acetic acid
CID 61161596
1-(azepan-1-yl)-2-[(4-ethylcyclohexyl)amino]ethanone
CID 60977352
1-(4-benzylpiperidin-1-yl)-2-(cyclohexylamino)ethanone
CID 108993605
4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]piperidine-1-carboxamide
CID 113352679
2-[1-(2-propan-2-ylsulfonylacetyl)piperidin-4-yl]acetic acid
CID 119178526
2-(cyclopropylamino)-1-(4-phenoxypiperidin-1-yl)ethanone
CID 60858362
ethyl 1-[2-(cyclopropylamino)acetyl]piperidine-4-carboxylate
CID 54917942
2-[(4-ethylcyclohexyl)amino]-1-morpholin-4-ylethanone
CID 60977351
2-[1-(3-methoxypropanoyl)piperidin-4-yl]acetic acid
CID 79615303

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(cyclopropylamino)acetyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[2-(cyclopropylamino)acetyl]piperidin-4-yl]acetic acid (CID 79615447) is 2-[1-[2-(cyclopropylamino)acetyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(cyclopropylamino)acetyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(cyclopropylamino)acetyl]piperidin-4-yl]acetic acid is O=C(O)CC1CCN(C(=O)CNC2CC2)CC1.
What is the InChIKey of 2-[1-[2-(cyclopropylamino)acetyl]piperidin-4-yl]acetic acid?
The InChIKey is WKWCWOQVMCQSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c15-11(8-13-10-1-2-10)14-5-3-9(4-6-14)7-12(16)17/h9-10,13H,1-8H2,(H,16,17).
What are the key properties of 2-[1-[2-(cyclopropylamino)acetyl]piperidin-4-yl]acetic acid?
2-[1-[2-(cyclopropylamino)acetyl]piperidin-4-yl]acetic acid has a molecular weight of 240.30 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(cyclopropylamino)acetyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 79615447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).