2-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]propanoic acid

C10H16N4O3 — CID 80689022

IUPAC2-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]propanoic acid
SMILESCC(NC(=O)NCCc1cnn(C)c1)C(=O)O
InChIInChI=1S/C10H16N4O3/c1-7(9(15)16)13-10(17)11-4-3-8-5-12-14(2)6-8/h5-7H,3-4H2,1-2H3,(H,15,16)(H2,11,13,17)
InChIKeyYZNVWKGLILDITC-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.27
Rot. Bonds5

About 2-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]propanoic acid

2-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]propanoic acid (PubChem CID 80689022) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]propanoic acid
PubChem CID80689022
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name2-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]propanoic acid
SMILESCC(NC(=O)NCCc1cnn(C)c1)C(=O)O
InChIInChI=1S/C10H16N4O3/c1-7(9(15)16)13-10(17)11-4-3-8-5-12-14(2)6-8/h5-7H,3-4H2,1-2H3,(H,15,16)(H2,11,13,17)
InChIKeyYZNVWKGLILDITC-UHFFFAOYSA-N
XLogP-0.27
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]butanoic acid
CID 80689431
(2S,3S)-3-methyl-2-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]pentanoic acid
CID 80688858
3-methyl-2-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]pentanoic acid
CID 80689102
1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-(1-methylpyrazol-4-yl)ethyl]urea
CID 111454562
2-methyl-4-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]butanoic acid
CID 80689654
4-amino-2-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]-4-oxobutanoic acid
CID 80689101
1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propylurea
CID 47239068
3-methyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]butanoic acid
CID 103004675
1-[2-(1-methylpyrazol-4-yl)ethyl]-3-(1-thiophen-2-ylethyl)urea
CID 51083632
(2S)-2-(2-pyridin-4-ylethylcarbamoylamino)propanoic acid
CID 78967885
(2R)-2-(2-pyridin-4-ylethylcarbamoylamino)propanoic acid
CID 54991048
2-chloro-N-[2-(1-methylpyrazol-4-yl)ethylcarbamoyl]acetamide
CID 80688704

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]propanoic acid?
The IUPAC name of 2-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]propanoic acid (CID 80689022) is 2-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]propanoic acid.
What is the SMILES notation for 2-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]propanoic acid?
The canonical SMILES for 2-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]propanoic acid is CC(NC(=O)NCCc1cnn(C)c1)C(=O)O.
What is the InChIKey of 2-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]propanoic acid?
The InChIKey is YZNVWKGLILDITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-7(9(15)16)13-10(17)11-4-3-8-5-12-14(2)6-8/h5-7H,3-4H2,1-2H3,(H,15,16)(H2,11,13,17).
What are the key properties of 2-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]propanoic acid?
2-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]propanoic acid has a molecular weight of 240.26 g/mol, XLogP of -0.27, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]propanoic acid is sourced from PubChem (CID 80689022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).