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

C11H18N4O3 — CID 113363990

IUPAC2-methyl-2-[2-(4-methylpyrazol-1-yl)ethylcarbamoylamino]propanoic acid
SMILESCc1cnn(CCNC(=O)NC(C)(C)C(=O)O)c1
InChIInChI=1S/C11H18N4O3/c1-8-6-13-15(7-8)5-4-12-10(18)14-11(2,3)9(16)17/h6-7H,4-5H2,1-3H3,(H,16,17)(H2,12,14,18)
InChIKeyVOXBVGOQVKDFLT-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.35
Rot. Bonds5

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

2-methyl-2-[2-(4-methylpyrazol-1-yl)ethylcarbamoylamino]propanoic acid (PubChem CID 113363990) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-methyl-2-[2-(4-methylpyrazol-1-yl)ethylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[2-(4-methylpyrazol-1-yl)ethylcarbamoylamino]propanoic acid
PubChem CID113363990
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name2-methyl-2-[2-(4-methylpyrazol-1-yl)ethylcarbamoylamino]propanoic acid
SMILESCc1cnn(CCNC(=O)NC(C)(C)C(=O)O)c1
InChIInChI=1S/C11H18N4O3/c1-8-6-13-15(7-8)5-4-12-10(18)14-11(2,3)9(16)17/h6-7H,4-5H2,1-3H3,(H,16,17)(H2,12,14,18)
InChIKeyVOXBVGOQVKDFLT-UHFFFAOYSA-N
XLogP0.35
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-hydroxy-4-[2-(4-methylpyrazol-1-yl)ethylcarbamoylamino]butanoic acid
CID 114131625
2,2-dimethyl-3-(4-methylpyrazol-1-yl)propanoic acid
CID 79628887
2-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]propanamide
CID 103881624
N-tert-butyl-2-[2-(4-methylpyrazol-1-yl)ethylamino]propanamide
CID 113232712
N-[3-(4-methylpyrazol-1-yl)propyl]acetamide
CID 19328226
N-tert-butyl-2-[[N'-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]carbamimidoyl]amino]acetamide
CID 111767771
1-amino-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclopropane-1-carboxamide
CID 103950251
1-[2-(4-methylpyrazol-1-yl)ethyl]-3-(6-methyl-2-pyridinyl)urea
CID 75507984
2-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]-2-phenylacetamide
CID 114130254
2-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-2-pyrrolidin-1-ylpropanamide
CID 119060470
1-[3-[3-(4-methylpyrazol-1-yl)propylamino]-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19483106
2-methyl-2-[3-(triazol-1-yl)propylcarbamoylamino]propanoic acid
CID 113413133

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-(4-methylpyrazol-1-yl)ethylcarbamoylamino]propanoic acid?
The IUPAC name of 2-methyl-2-[2-(4-methylpyrazol-1-yl)ethylcarbamoylamino]propanoic acid (CID 113363990) is 2-methyl-2-[2-(4-methylpyrazol-1-yl)ethylcarbamoylamino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[2-(4-methylpyrazol-1-yl)ethylcarbamoylamino]propanoic acid?
The canonical SMILES for 2-methyl-2-[2-(4-methylpyrazol-1-yl)ethylcarbamoylamino]propanoic acid is Cc1cnn(CCNC(=O)NC(C)(C)C(=O)O)c1.
What is the InChIKey of 2-methyl-2-[2-(4-methylpyrazol-1-yl)ethylcarbamoylamino]propanoic acid?
The InChIKey is VOXBVGOQVKDFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-8-6-13-15(7-8)5-4-12-10(18)14-11(2,3)9(16)17/h6-7H,4-5H2,1-3H3,(H,16,17)(H2,12,14,18).
What are the key properties of 2-methyl-2-[2-(4-methylpyrazol-1-yl)ethylcarbamoylamino]propanoic acid?
2-methyl-2-[2-(4-methylpyrazol-1-yl)ethylcarbamoylamino]propanoic acid has a molecular weight of 254.29 g/mol, XLogP of 0.35, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-(4-methylpyrazol-1-yl)ethylcarbamoylamino]propanoic acid is sourced from PubChem (CID 113363990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).