3-[1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]piperidin-4-yl]propanoic acid

C14H22N4O3 — CID 115290589

IUPAC3-[1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]piperidin-4-yl]propanoic acid
SMILESCn1cc(C(N)C(=O)N2CCC(CCC(=O)O)CC2)cn1
InChIInChI=1S/C14H22N4O3/c1-17-9-11(8-16-17)13(15)14(21)18-6-4-10(5-7-18)2-3-12(19)20/h8-10,13H,2-7,15H2,1H3,(H,19,20)
InChIKeyOANDBHCUKLNGSZ-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.52
Rot. Bonds5

About 3-[1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]piperidin-4-yl]propanoic acid

3-[1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]piperidin-4-yl]propanoic acid (PubChem CID 115290589) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-[1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]piperidin-4-yl]propanoic acid
PubChem CID115290589
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name3-[1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]piperidin-4-yl]propanoic acid
SMILESCn1cc(C(N)C(=O)N2CCC(CCC(=O)O)CC2)cn1
InChIInChI=1S/C14H22N4O3/c1-17-9-11(8-16-17)13(15)14(21)18-6-4-10(5-7-18)2-3-12(19)20/h8-10,13H,2-7,15H2,1H3,(H,19,20)
InChIKeyOANDBHCUKLNGSZ-UHFFFAOYSA-N
XLogP0.52
TPSA101.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-1-(4-methylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 115289498
2-amino-1-(4-tert-butylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 115290579
2-[1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]azetidin-3-yl]acetic acid
CID 115290799
2-amino-1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-2-(1-methylpyrazol-4-yl)ethanone
CID 107220716
2-amino-1-(4,4-diethylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 115290675
2-amino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(1-methylpyrazol-4-yl)ethanone
CID 115290639
2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 115290674
(3S)-1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]piperidine-3-carboxylic acid
CID 115291008
cyclopropylmethyl 2-amino-2-(1-methylpyrazol-4-yl)acetate
CID 115288981
1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-2-methylpyrrolidine-3-carboxylic acid
CID 115290930
3-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]propanoic acid
CID 62215529
1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102780342

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]piperidin-4-yl]propanoic acid (CID 115290589) is 3-[1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]piperidin-4-yl]propanoic acid is Cn1cc(C(N)C(=O)N2CCC(CCC(=O)O)CC2)cn1.
What is the InChIKey of 3-[1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]piperidin-4-yl]propanoic acid?
The InChIKey is OANDBHCUKLNGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-17-9-11(8-16-17)13(15)14(21)18-6-4-10(5-7-18)2-3-12(19)20/h8-10,13H,2-7,15H2,1H3,(H,19,20).
What are the key properties of 3-[1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]piperidin-4-yl]propanoic acid?
3-[1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]piperidin-4-yl]propanoic acid has a molecular weight of 294.35 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]piperidin-4-yl]propanoic acid is sourced from PubChem (CID 115290589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).