3-[ethyl-[(2-methylpyrazol-3-yl)methylcarbamoyl]amino]-2-methylpropanoic acid

C12H20N4O3 — CID 63303421

IUPAC3-[ethyl-[(2-methylpyrazol-3-yl)methylcarbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)NCc1ccnn1C
InChIInChI=1S/C12H20N4O3/c1-4-16(8-9(2)11(17)18)12(19)13-7-10-5-6-14-15(10)3/h5-6,9H,4,7-8H2,1-3H3,(H,13,19)(H,17,18)
InChIKeyBUJHKGOBHQXJHT-UHFFFAOYSA-N
MW268.32 g/mol
LogP0.67
Rot. Bonds6

About 3-[ethyl-[(2-methylpyrazol-3-yl)methylcarbamoyl]amino]-2-methylpropanoic acid

3-[ethyl-[(2-methylpyrazol-3-yl)methylcarbamoyl]amino]-2-methylpropanoic acid (PubChem CID 63303421) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-[ethyl-[(2-methylpyrazol-3-yl)methylcarbamoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[ethyl-[(2-methylpyrazol-3-yl)methylcarbamoyl]amino]-2-methylpropanoic acid
PubChem CID63303421
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name3-[ethyl-[(2-methylpyrazol-3-yl)methylcarbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)NCc1ccnn1C
InChIInChI=1S/C12H20N4O3/c1-4-16(8-9(2)11(17)18)12(19)13-7-10-5-6-14-15(10)3/h5-6,9H,4,7-8H2,1-3H3,(H,13,19)(H,17,18)
InChIKeyBUJHKGOBHQXJHT-UHFFFAOYSA-N
XLogP0.67
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[(2-methylpyrazol-3-yl)methylcarbamoyl]amino]butanoic acid
CID 55205366
1-(2-hydroxyethyl)-3-[(2-methylpyrazol-3-yl)methyl]-1-propylurea
CID 110896414
2-methyl-3-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]propanoic acid
CID 65067288
3-[ethyl-[(4-methyl-3-pyridinyl)methylcarbamoyl]amino]-2-methylpropanoic acid
CID 114957124
3-[ethyl-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoyl]amino]-2-methylpropanoic acid
CID 106303745
2-[(2-methylpyrazol-3-yl)methylamino]propanoic acid
CID 61499577
1-(1-cyclopropylethyl)-1-methyl-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 87007413
(2S)-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]pentanoic acid
CID 95395819
N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19292671
3-[ethyl-[2-(1-methylimidazol-2-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 62854114
3-[ethyl-[(1-methylpyrazol-4-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 62852836
3-[ethyl(3-methylbutylcarbamoyl)amino]-2-methylpropanoic acid
CID 62852278

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[(2-methylpyrazol-3-yl)methylcarbamoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[ethyl-[(2-methylpyrazol-3-yl)methylcarbamoyl]amino]-2-methylpropanoic acid (CID 63303421) is 3-[ethyl-[(2-methylpyrazol-3-yl)methylcarbamoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[ethyl-[(2-methylpyrazol-3-yl)methylcarbamoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[ethyl-[(2-methylpyrazol-3-yl)methylcarbamoyl]amino]-2-methylpropanoic acid is CCN(CC(C)C(=O)O)C(=O)NCc1ccnn1C.
What is the InChIKey of 3-[ethyl-[(2-methylpyrazol-3-yl)methylcarbamoyl]amino]-2-methylpropanoic acid?
The InChIKey is BUJHKGOBHQXJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-4-16(8-9(2)11(17)18)12(19)13-7-10-5-6-14-15(10)3/h5-6,9H,4,7-8H2,1-3H3,(H,13,19)(H,17,18).
What are the key properties of 3-[ethyl-[(2-methylpyrazol-3-yl)methylcarbamoyl]amino]-2-methylpropanoic acid?
3-[ethyl-[(2-methylpyrazol-3-yl)methylcarbamoyl]amino]-2-methylpropanoic acid has a molecular weight of 268.32 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[(2-methylpyrazol-3-yl)methylcarbamoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 63303421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).