2-[(1-ethylpyrazol-3-yl)carbamoyl-methylamino]-2-methylpropanoic acid

C11H18N4O3 — CID 114251102

IUPAC2-[(1-ethylpyrazol-3-yl)carbamoyl-methylamino]-2-methylpropanoic acid
SMILESCCn1ccc(NC(=O)N(C)C(C)(C)C(=O)O)n1
InChIInChI=1S/C11H18N4O3/c1-5-15-7-6-8(13-15)12-10(18)14(4)11(2,3)9(16)17/h6-7H,5H2,1-4H3,(H,16,17)(H,12,13,18)
InChIKeyNSRHNRUMAXRCLT-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.23
Rot. Bonds4

About 2-[(1-ethylpyrazol-3-yl)carbamoyl-methylamino]-2-methylpropanoic acid

2-[(1-ethylpyrazol-3-yl)carbamoyl-methylamino]-2-methylpropanoic acid (PubChem CID 114251102) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[(1-ethylpyrazol-3-yl)carbamoyl-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(1-ethylpyrazol-3-yl)carbamoyl-methylamino]-2-methylpropanoic acid
PubChem CID114251102
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name2-[(1-ethylpyrazol-3-yl)carbamoyl-methylamino]-2-methylpropanoic acid
SMILESCCn1ccc(NC(=O)N(C)C(C)(C)C(=O)O)n1
InChIInChI=1S/C11H18N4O3/c1-5-15-7-6-8(13-15)12-10(18)14(4)11(2,3)9(16)17/h6-7H,5H2,1-4H3,(H,16,17)(H,12,13,18)
InChIKeyNSRHNRUMAXRCLT-UHFFFAOYSA-N
XLogP1.23
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-diethyl-4-[(1-ethylpyrazol-3-yl)amino]-4-oxobutanoic acid
CID 114250817
3-[(1-ethylpyrazol-3-yl)carbamoylamino]-3-methylbutanoic acid
CID 114251038
5-tert-butyl-3-[(1-ethylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylic acid
CID 21258337
6-[(1-ethylpyrazol-3-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 19620237
N-(1-ethylpyrazol-3-yl)-2-sulfanylbutanamide
CID 130927400
2-[(2-ethylphenyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 62820218
2-methyl-2-[methyl(2-pyrazol-1-ylethylcarbamoyl)amino]propanoic acid
CID 62821667
N-(1-ethylpyrazol-3-yl)-4-(methylamino)benzamide
CID 114252349
2-[4-[[(1-ethylpyrazol-3-yl)amino]methyl]phenyl]acetic acid
CID 114250987
N-(1-ethylpyrazol-3-yl)-2,3-dihydroxybenzamide
CID 114251339
N-(1-ethylpyrazol-3-yl)pyridine-2-carboxamide
CID 35286531
N-(1-ethylpyrazol-3-yl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 114252342

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrazol-3-yl)carbamoyl-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(1-ethylpyrazol-3-yl)carbamoyl-methylamino]-2-methylpropanoic acid (CID 114251102) is 2-[(1-ethylpyrazol-3-yl)carbamoyl-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(1-ethylpyrazol-3-yl)carbamoyl-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(1-ethylpyrazol-3-yl)carbamoyl-methylamino]-2-methylpropanoic acid is CCn1ccc(NC(=O)N(C)C(C)(C)C(=O)O)n1.
What is the InChIKey of 2-[(1-ethylpyrazol-3-yl)carbamoyl-methylamino]-2-methylpropanoic acid?
The InChIKey is NSRHNRUMAXRCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-5-15-7-6-8(13-15)12-10(18)14(4)11(2,3)9(16)17/h6-7H,5H2,1-4H3,(H,16,17)(H,12,13,18).
What are the key properties of 2-[(1-ethylpyrazol-3-yl)carbamoyl-methylamino]-2-methylpropanoic acid?
2-[(1-ethylpyrazol-3-yl)carbamoyl-methylamino]-2-methylpropanoic acid has a molecular weight of 254.29 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrazol-3-yl)carbamoyl-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 114251102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).