2-[tert-butyl-[(1-methylpyrazol-4-yl)carbamoyl]amino]acetic acid

C11H18N4O3 — CID 79256591

IUPAC2-[tert-butyl-[(1-methylpyrazol-4-yl)carbamoyl]amino]acetic acid
SMILESCn1cc(NC(=O)N(CC(=O)O)C(C)(C)C)cn1
InChIInChI=1S/C11H18N4O3/c1-11(2,3)15(7-9(16)17)10(18)13-8-5-12-14(4)6-8/h5-6H,7H2,1-4H3,(H,13,18)(H,16,17)
InChIKeyLJCAQAPMFKOBFE-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.14
Rot. Bonds3

About 2-[tert-butyl-[(1-methylpyrazol-4-yl)carbamoyl]amino]acetic acid

2-[tert-butyl-[(1-methylpyrazol-4-yl)carbamoyl]amino]acetic acid (PubChem CID 79256591) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[tert-butyl-[(1-methylpyrazol-4-yl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-[(1-methylpyrazol-4-yl)carbamoyl]amino]acetic acid
PubChem CID79256591
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name2-[tert-butyl-[(1-methylpyrazol-4-yl)carbamoyl]amino]acetic acid
SMILESCn1cc(NC(=O)N(CC(=O)O)C(C)(C)C)cn1
InChIInChI=1S/C11H18N4O3/c1-11(2,3)15(7-9(16)17)10(18)13-8-5-12-14(4)6-8/h5-6H,7H2,1-4H3,(H,13,18)(H,16,17)
InChIKeyLJCAQAPMFKOBFE-UHFFFAOYSA-N
XLogP1.14
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[tert-butyl-[(1-propan-2-ylpyrazol-4-yl)carbamoyl]amino]acetic acid
CID 79257269
2-[ethyl-[(1-methylpyrazol-4-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 62820413
2-[tert-butyl-(1-methylpyrazole-4-carbonyl)amino]acetic acid
CID 79266390
2-[4-methyl-N-[(1-methylpyrazol-4-yl)carbamoyl]anilino]acetic acid
CID 61198137
N-tert-butyl-2-[methyl-[(1-methylpyrazol-4-yl)carbamoyl]amino]acetamide
CID 78874989
2-[tert-butyl(pyridin-3-ylcarbamoyl)amino]acetic acid
CID 79257648
3-[tert-butyl-[(1-ethylpyrazol-4-yl)carbamoyl]amino]propanoic acid
CID 61209703
3-[(1-methylpyrazol-4-yl)carbamoyl-propan-2-ylamino]propanoic acid
CID 61198142
5-[(1-methylpyrazol-4-yl)amino]pentanoic acid
CID 79778286
3-hydroxy-3-methyl-4-[(1-methylpyrazol-4-yl)carbamoylamino]butanoic acid
CID 66000811
3-[ethyl-[(1-methylpyrazol-4-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 62852836
3-amino-2,2,3-trimethyl-N-(1-methylpyrazol-4-yl)butanamide
CID 65264942

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-[(1-methylpyrazol-4-yl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[tert-butyl-[(1-methylpyrazol-4-yl)carbamoyl]amino]acetic acid (CID 79256591) is 2-[tert-butyl-[(1-methylpyrazol-4-yl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-[(1-methylpyrazol-4-yl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-[(1-methylpyrazol-4-yl)carbamoyl]amino]acetic acid is Cn1cc(NC(=O)N(CC(=O)O)C(C)(C)C)cn1.
What is the InChIKey of 2-[tert-butyl-[(1-methylpyrazol-4-yl)carbamoyl]amino]acetic acid?
The InChIKey is LJCAQAPMFKOBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-11(2,3)15(7-9(16)17)10(18)13-8-5-12-14(4)6-8/h5-6H,7H2,1-4H3,(H,13,18)(H,16,17).
What are the key properties of 2-[tert-butyl-[(1-methylpyrazol-4-yl)carbamoyl]amino]acetic acid?
2-[tert-butyl-[(1-methylpyrazol-4-yl)carbamoyl]amino]acetic acid has a molecular weight of 254.29 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-[(1-methylpyrazol-4-yl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 79256591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).