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

C12H22N2O3 — CID 79615592

IUPAC2-[1-[2-(propylamino)acetyl]piperidin-4-yl]acetic acid
SMILESCCCNCC(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C12H22N2O3/c1-2-5-13-9-11(15)14-6-3-10(4-7-14)8-12(16)17/h10,13H,2-9H2,1H3,(H,16,17)
InChIKeyDCPLATULMLTHSX-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.70
Rot. Bonds6

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

2-[1-[2-(propylamino)acetyl]piperidin-4-yl]acetic acid (PubChem CID 79615592) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[1-[2-(propylamino)acetyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(propylamino)acetyl]piperidin-4-yl]acetic acid
PubChem CID79615592
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[1-[2-(propylamino)acetyl]piperidin-4-yl]acetic acid
SMILESCCCNCC(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C12H22N2O3/c1-2-5-13-9-11(15)14-6-3-10(4-7-14)8-12(16)17/h10,13H,2-9H2,1H3,(H,16,17)
InChIKeyDCPLATULMLTHSX-UHFFFAOYSA-N
XLogP0.70
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-(propylcarbamoyl)piperidin-4-yl]acetic acid
CID 29080141
2-[1-[2-(cyclopropylamino)acetyl]piperidin-4-yl]acetic acid
CID 79615447
1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-(propylamino)ethanone;hydrochloride
CID 142209070
1-(3-hydroxypyrrolidin-1-yl)-2-(propylamino)ethanone
CID 62943798
2-[1-[2-[(2-aminoacetyl)amino]acetyl]piperidin-4-yl]acetic acid
CID 79615805
2-[1-(2-propoxyacetyl)piperidin-4-yl]acetic acid
CID 103790225
1-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-(propylamino)ethanone
CID 82695486
2-[1-[1-oxo-1-(propylamino)propan-2-yl]piperidin-4-yl]acetic acid
CID 79609150
1-[(3S)-3-hydroxypiperidin-1-yl]-2-(propylamino)ethanone
CID 107222864
2-[1-(4-ethoxy-4-oxobutanoyl)piperidin-4-yl]acetic acid
CID 79615731
2-[1-(2-propan-2-ylsulfonylacetyl)piperidin-4-yl]acetic acid
CID 119178526
2-[1-[2-(ethylamino)acetyl]azetidin-3-yl]acetic acid
CID 64605625

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(propylamino)acetyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[2-(propylamino)acetyl]piperidin-4-yl]acetic acid (CID 79615592) is 2-[1-[2-(propylamino)acetyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(propylamino)acetyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(propylamino)acetyl]piperidin-4-yl]acetic acid is CCCNCC(=O)N1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-[1-[2-(propylamino)acetyl]piperidin-4-yl]acetic acid?
The InChIKey is DCPLATULMLTHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-2-5-13-9-11(15)14-6-3-10(4-7-14)8-12(16)17/h10,13H,2-9H2,1H3,(H,16,17).
What are the key properties of 2-[1-[2-(propylamino)acetyl]piperidin-4-yl]acetic acid?
2-[1-[2-(propylamino)acetyl]piperidin-4-yl]acetic acid has a molecular weight of 242.32 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(propylamino)acetyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 79615592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).