2-[1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]azetidin-3-yl]acetic acid

C11H16N4O3 — CID 115290799

IUPAC2-[1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]azetidin-3-yl]acetic acid
SMILESCn1cc(C(N)C(=O)N2CC(CC(=O)O)C2)cn1
InChIInChI=1S/C11H16N4O3/c1-14-6-8(3-13-14)10(12)11(18)15-4-7(5-15)2-9(16)17/h3,6-7,10H,2,4-5,12H2,1H3,(H,16,17)
InChIKeyIUVHPBZAQULSCM-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.65
Rot. Bonds4

About 2-[1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]azetidin-3-yl]acetic acid

2-[1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]azetidin-3-yl]acetic acid (PubChem CID 115290799) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]azetidin-3-yl]acetic acid
PubChem CID115290799
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name2-[1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]azetidin-3-yl]acetic acid
SMILESCn1cc(C(N)C(=O)N2CC(CC(=O)O)C2)cn1
InChIInChI=1S/C11H16N4O3/c1-14-6-8(3-13-14)10(12)11(18)15-4-7(5-15)2-9(16)17/h3,6-7,10H,2,4-5,12H2,1H3,(H,16,17)
InChIKeyIUVHPBZAQULSCM-UHFFFAOYSA-N
XLogP-0.65
TPSA101.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]azetidin-3-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-2-(1-methylpyrazol-4-yl)ethanone
CID 107220716
3-[1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]piperidin-4-yl]propanoic acid
CID 115290589
2-amino-1-(4-methylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 115289498
(3S)-1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]piperidine-3-carboxylic acid
CID 115291008
(3R)-3-amino-3-(1-methylpyrazol-4-yl)propanoic acid
CID 28600208
2-amino-1-(4,4-diethylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 115290675
2-amino-1-(4-tert-butylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 115290579
2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 115290674
2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]acetic acid
CID 115290299
cyclopropylmethyl 2-amino-2-(1-methylpyrazol-4-yl)acetate
CID 115288981
2-amino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(1-methylpyrazol-4-yl)ethanone
CID 115290639
2-[1-[(1-methylpyrazol-4-yl)methylcarbamoyl]azetidin-3-yl]acetic acid
CID 64617071

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]azetidin-3-yl]acetic acid (CID 115290799) is 2-[1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]azetidin-3-yl]acetic acid is Cn1cc(C(N)C(=O)N2CC(CC(=O)O)C2)cn1.
What is the InChIKey of 2-[1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]azetidin-3-yl]acetic acid?
The InChIKey is IUVHPBZAQULSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-14-6-8(3-13-14)10(12)11(18)15-4-7(5-15)2-9(16)17/h3,6-7,10H,2,4-5,12H2,1H3,(H,16,17).
What are the key properties of 2-[1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]azetidin-3-yl]acetic acid?
2-[1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]azetidin-3-yl]acetic acid has a molecular weight of 252.27 g/mol, XLogP of -0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 115290799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).