3-[ethyl-[(1-methylpyrazol-4-yl)carbamoyl]amino]-2-methylpropanoic acid

C11H18N4O3 — CID 62852836

IUPAC3-[ethyl-[(1-methylpyrazol-4-yl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)Nc1cnn(C)c1
InChIInChI=1S/C11H18N4O3/c1-4-15(6-8(2)10(16)17)11(18)13-9-5-12-14(3)7-9/h5,7-8H,4,6H2,1-3H3,(H,13,18)(H,16,17)
InChIKeyNFDVAZXXVAJZPW-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.99
Rot. Bonds5

About 3-[ethyl-[(1-methylpyrazol-4-yl)carbamoyl]amino]-2-methylpropanoic acid

3-[ethyl-[(1-methylpyrazol-4-yl)carbamoyl]amino]-2-methylpropanoic acid (PubChem CID 62852836) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-[ethyl-[(1-methylpyrazol-4-yl)carbamoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[ethyl-[(1-methylpyrazol-4-yl)carbamoyl]amino]-2-methylpropanoic acid
PubChem CID62852836
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name3-[ethyl-[(1-methylpyrazol-4-yl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)Nc1cnn(C)c1
InChIInChI=1S/C11H18N4O3/c1-4-15(6-8(2)10(16)17)11(18)13-9-5-12-14(3)7-9/h5,7-8H,4,6H2,1-3H3,(H,13,18)(H,16,17)
InChIKeyNFDVAZXXVAJZPW-UHFFFAOYSA-N
XLogP0.99
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[ethyl-[(4-fluorophenyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62828090
3-[(1-methylpyrazol-4-yl)carbamoyl-propan-2-ylamino]propanoic acid
CID 61198142
2-[ethyl-[(1-methylpyrazol-4-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 62820413
3-[ethyl-[(4-propylphenyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62851938
3-[ethyl-[(3-fluoro-5-methylphenyl)carbamoyl]amino]-2-methylpropanoic acid
CID 79050237
2-[(1-methylpyrazol-4-yl)carbamoylamino]pentanoic acid
CID 61198130
3-[(3-carbamoylphenyl)carbamoyl-ethylamino]-2-methylpropanoic acid
CID 107809460
2-[(1-methylpyrazol-4-yl)carbamoylamino]propanoic acid
CID 61199626
3-[ethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62853366
3-[ethyl-[(2-methylpyrazol-3-yl)methylcarbamoyl]amino]-2-methylpropanoic acid
CID 63303421
3-[(4-bromo-3-chlorophenyl)carbamoyl-ethylamino]-2-methylpropanoic acid
CID 107614607
3-[3-ethoxypropyl-(1-methylpyrazole-4-carbonyl)amino]-2-methylpropanoic acid
CID 119208314

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[(1-methylpyrazol-4-yl)carbamoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[ethyl-[(1-methylpyrazol-4-yl)carbamoyl]amino]-2-methylpropanoic acid (CID 62852836) is 3-[ethyl-[(1-methylpyrazol-4-yl)carbamoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[ethyl-[(1-methylpyrazol-4-yl)carbamoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[ethyl-[(1-methylpyrazol-4-yl)carbamoyl]amino]-2-methylpropanoic acid is CCN(CC(C)C(=O)O)C(=O)Nc1cnn(C)c1.
What is the InChIKey of 3-[ethyl-[(1-methylpyrazol-4-yl)carbamoyl]amino]-2-methylpropanoic acid?
The InChIKey is NFDVAZXXVAJZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-4-15(6-8(2)10(16)17)11(18)13-9-5-12-14(3)7-9/h5,7-8H,4,6H2,1-3H3,(H,13,18)(H,16,17).
What are the key properties of 3-[ethyl-[(1-methylpyrazol-4-yl)carbamoyl]amino]-2-methylpropanoic acid?
3-[ethyl-[(1-methylpyrazol-4-yl)carbamoyl]amino]-2-methylpropanoic acid has a molecular weight of 254.29 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[(1-methylpyrazol-4-yl)carbamoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 62852836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).