2-[2-(1-methylpyrazol-3-yl)ethylcarbamoylamino]propanoic acid

C10H16N4O3 — CID 106106029

IUPAC2-[2-(1-methylpyrazol-3-yl)ethylcarbamoylamino]propanoic acid
SMILESCC(NC(=O)NCCc1ccn(C)n1)C(=O)O
InChIInChI=1S/C10H16N4O3/c1-7(9(15)16)12-10(17)11-5-3-8-4-6-14(2)13-8/h4,6-7H,3,5H2,1-2H3,(H,15,16)(H2,11,12,17)
InChIKeyUMMXWLIWAHDURD-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.27
Rot. Bonds5

About 2-[2-(1-methylpyrazol-3-yl)ethylcarbamoylamino]propanoic acid

2-[2-(1-methylpyrazol-3-yl)ethylcarbamoylamino]propanoic acid (PubChem CID 106106029) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-[2-(1-methylpyrazol-3-yl)ethylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-[2-(1-methylpyrazol-3-yl)ethylcarbamoylamino]propanoic acid
PubChem CID106106029
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name2-[2-(1-methylpyrazol-3-yl)ethylcarbamoylamino]propanoic acid
SMILESCC(NC(=O)NCCc1ccn(C)n1)C(=O)O
InChIInChI=1S/C10H16N4O3/c1-7(9(15)16)12-10(17)11-5-3-8-4-6-14(2)13-8/h4,6-7H,3,5H2,1-2H3,(H,15,16)(H2,11,12,17)
InChIKeyUMMXWLIWAHDURD-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

(2R)-2-[2-(1-methylpyrazol-3-yl)ethylcarbamoylamino]butanedioic acid
CID 106106046
2-[2-(1-methylpyrazol-3-yl)ethylcarbamoylamino]pentanedioic acid
CID 106105888
2-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]propanamide
CID 106104407
2,2-dimethyl-3-[2-(1-methylpyrazol-3-yl)ethylcarbamoylamino]propanoic acid
CID 114144062
2-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]propanoic acid
CID 80689022
(2S)-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]propanoic acid
CID 55202295
(2R)-2-[2-(1-methylimidazol-2-yl)ethylcarbamoylamino]propanoic acid
CID 78977343
(2S)-2-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-phenylacetamide
CID 106105015
(2S)-2-(2-pyridin-4-ylethylcarbamoylamino)propanoic acid
CID 78967885
(2R)-2-(2-pyridin-4-ylethylcarbamoylamino)propanoic acid
CID 54991048
5-[2-(1-methylpyrazol-3-yl)ethylamino]-5-oxopentanoic acid
CID 104630849
3-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]butanamide
CID 114143955

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylpyrazol-3-yl)ethylcarbamoylamino]propanoic acid?
The IUPAC name of 2-[2-(1-methylpyrazol-3-yl)ethylcarbamoylamino]propanoic acid (CID 106106029) is 2-[2-(1-methylpyrazol-3-yl)ethylcarbamoylamino]propanoic acid.
What is the SMILES notation for 2-[2-(1-methylpyrazol-3-yl)ethylcarbamoylamino]propanoic acid?
The canonical SMILES for 2-[2-(1-methylpyrazol-3-yl)ethylcarbamoylamino]propanoic acid is CC(NC(=O)NCCc1ccn(C)n1)C(=O)O.
What is the InChIKey of 2-[2-(1-methylpyrazol-3-yl)ethylcarbamoylamino]propanoic acid?
The InChIKey is UMMXWLIWAHDURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-7(9(15)16)12-10(17)11-5-3-8-4-6-14(2)13-8/h4,6-7H,3,5H2,1-2H3,(H,15,16)(H2,11,12,17).
What are the key properties of 2-[2-(1-methylpyrazol-3-yl)ethylcarbamoylamino]propanoic acid?
2-[2-(1-methylpyrazol-3-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-3-yl)ethylcarbamoylamino]propanoic acid is sourced from PubChem (CID 106106029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).