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

C11H18N4O3 — CID 62820296

IUPAC2-methyl-2-[methyl-[(1-methylpyrazol-4-yl)methylcarbamoyl]amino]propanoic acid
SMILESCN(C(=O)NCc1cnn(C)c1)C(C)(C)C(=O)O
InChIInChI=1S/C11H18N4O3/c1-11(2,9(16)17)15(4)10(18)12-5-8-6-13-14(3)7-8/h6-7H,5H2,1-4H3,(H,12,18)(H,16,17)
InChIKeyJXFRBAHFJYOZNO-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.42
Rot. Bonds4

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

2-methyl-2-[methyl-[(1-methylpyrazol-4-yl)methylcarbamoyl]amino]propanoic acid (PubChem CID 62820296) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-methyl-2-[methyl-[(1-methylpyrazol-4-yl)methylcarbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl-[(1-methylpyrazol-4-yl)methylcarbamoyl]amino]propanoic acid
PubChem CID62820296
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name2-methyl-2-[methyl-[(1-methylpyrazol-4-yl)methylcarbamoyl]amino]propanoic acid
SMILESCN(C(=O)NCc1cnn(C)c1)C(C)(C)C(=O)O
InChIInChI=1S/C11H18N4O3/c1-11(2,9(16)17)15(4)10(18)12-5-8-6-13-14(3)7-8/h6-7H,5H2,1-4H3,(H,12,18)(H,16,17)
InChIKeyJXFRBAHFJYOZNO-UHFFFAOYSA-N
XLogP0.42
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 ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]-3-oxopropanoic acid
CID 82820912
2,2-dimethyl-4-[(1-methylpyrazol-4-yl)methylcarbamoylamino]-4-oxobutanoic acid
CID 65301891
2-methyl-2-[methyl-[1-(1-methylpyrazol-4-yl)ethylcarbamoyl]amino]propanoic acid
CID 114189000
2,2,3-trimethyl-3-[(1-methylpyrazol-4-yl)methylamino]butanoic acid
CID 65265166
2-methyl-4-[(1-methylpyrazol-4-yl)methylamino]-4-oxo-2-propan-2-ylbutanoic acid
CID 61349459
2-methyl-2-[(1-methylpyrazol-4-yl)methylamino]butanoic acid
CID 78969503
2-(ethylamino)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 62836683
2-[2-[(1-methylpyrazol-4-yl)methylamino]-2-oxoethyl]sulfanylacetic acid
CID 104569715
2-[2-[(1-methylpyrazol-4-yl)methylamino]-2-oxoethoxy]acetic acid
CID 61350617
1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19474553
4-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzoic acid
CID 19624593
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 109398502

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-[(1-methylpyrazol-4-yl)methylcarbamoyl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl-[(1-methylpyrazol-4-yl)methylcarbamoyl]amino]propanoic acid (CID 62820296) is 2-methyl-2-[methyl-[(1-methylpyrazol-4-yl)methylcarbamoyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl-[(1-methylpyrazol-4-yl)methylcarbamoyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl-[(1-methylpyrazol-4-yl)methylcarbamoyl]amino]propanoic acid is CN(C(=O)NCc1cnn(C)c1)C(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[methyl-[(1-methylpyrazol-4-yl)methylcarbamoyl]amino]propanoic acid?
The InChIKey is JXFRBAHFJYOZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-11(2,9(16)17)15(4)10(18)12-5-8-6-13-14(3)7-8/h6-7H,5H2,1-4H3,(H,12,18)(H,16,17).
What are the key properties of 2-methyl-2-[methyl-[(1-methylpyrazol-4-yl)methylcarbamoyl]amino]propanoic acid?
2-methyl-2-[methyl-[(1-methylpyrazol-4-yl)methylcarbamoyl]amino]propanoic acid has a molecular weight of 254.29 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-[(1-methylpyrazol-4-yl)methylcarbamoyl]amino]propanoic acid is sourced from PubChem (CID 62820296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).