2-[prop-2-enyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]acetic acid

C13H19N3O3 — CID 79263566

IUPAC2-[prop-2-enyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)Cc1c(C)nn(C)c1C
InChIInChI=1S/C13H19N3O3/c1-5-6-16(8-13(18)19)12(17)7-11-9(2)14-15(4)10(11)3/h5H,1,6-8H2,2-4H3,(H,18,19)
InChIKeyDZZRCVSLLQIWBF-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.68
Rot. Bonds6

About 2-[prop-2-enyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]acetic acid

2-[prop-2-enyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]acetic acid (PubChem CID 79263566) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[prop-2-enyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[prop-2-enyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]acetic acid
PubChem CID79263566
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[prop-2-enyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)Cc1c(C)nn(C)c1C
InChIInChI=1S/C13H19N3O3/c1-5-6-16(8-13(18)19)12(17)7-11-9(2)14-15(4)10(11)3/h5H,1,6-8H2,2-4H3,(H,18,19)
InChIKeyDZZRCVSLLQIWBF-UHFFFAOYSA-N
XLogP0.68
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[prop-2-enyl-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]acetic acid
CID 79256977
2-[prop-2-enyl-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoyl]amino]acetic acid
CID 79285154
2-[2-(dimethylamino)ethyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]acetic acid
CID 103802828
2-[tert-butyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]acetic acid
CID 79266236
1-(1,3,5-trimethylpyrazol-4-yl)pent-4-en-2-one
CID 105083092
3-[propan-2-yl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoic acid
CID 60831751
1-(1,3,5-trimethylpyrazol-4-yl)hex-5-en-2-one
CID 105104474
2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]-prop-2-enylamino]acetic acid
CID 79277483
2-[2-methylpropyl-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]acetic acid
CID 62032074
2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-prop-2-enylamino]acetic acid
CID 79264506
2-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)-prop-2-enylamino]acetic acid
CID 79264269
N-(2-hydroxyethyl)-N-propan-2-yl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 43573797

Frequently Asked Questions

What is the IUPAC name of 2-[prop-2-enyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[prop-2-enyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]acetic acid (CID 79263566) is 2-[prop-2-enyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[prop-2-enyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[prop-2-enyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]acetic acid is C=CCN(CC(=O)O)C(=O)Cc1c(C)nn(C)c1C.
What is the InChIKey of 2-[prop-2-enyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]acetic acid?
The InChIKey is DZZRCVSLLQIWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-5-6-16(8-13(18)19)12(17)7-11-9(2)14-15(4)10(11)3/h5H,1,6-8H2,2-4H3,(H,18,19).
What are the key properties of 2-[prop-2-enyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]acetic acid?
2-[prop-2-enyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 0.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[prop-2-enyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 79263566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).