2-methyl-3-[methyl-[(1-methylpyrazol-3-yl)carbamoyl]amino]propanoic acid

C10H16N4O3 — CID 55007522

IUPAC2-methyl-3-[methyl-[(1-methylpyrazol-3-yl)carbamoyl]amino]propanoic acid
SMILESCC(CN(C)C(=O)Nc1ccn(C)n1)C(=O)O
InChIInChI=1S/C10H16N4O3/c1-7(9(15)16)6-13(2)10(17)11-8-4-5-14(3)12-8/h4-5,7H,6H2,1-3H3,(H,15,16)(H,11,12,17)
InChIKeyBLMBRCUOAKOKMQ-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.60
Rot. Bonds4

About 2-methyl-3-[methyl-[(1-methylpyrazol-3-yl)carbamoyl]amino]propanoic acid

2-methyl-3-[methyl-[(1-methylpyrazol-3-yl)carbamoyl]amino]propanoic acid (PubChem CID 55007522) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-methyl-3-[methyl-[(1-methylpyrazol-3-yl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl-[(1-methylpyrazol-3-yl)carbamoyl]amino]propanoic acid
PubChem CID55007522
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name2-methyl-3-[methyl-[(1-methylpyrazol-3-yl)carbamoyl]amino]propanoic acid
SMILESCC(CN(C)C(=O)Nc1ccn(C)n1)C(=O)O
InChIInChI=1S/C10H16N4O3/c1-7(9(15)16)6-13(2)10(17)11-8-4-5-14(3)12-8/h4-5,7H,6H2,1-3H3,(H,15,16)(H,11,12,17)
InChIKeyBLMBRCUOAKOKMQ-UHFFFAOYSA-N
XLogP0.60
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-[(1-methylpyrazol-3-yl)carbamoylamino]butanoic acid
CID 80540855
2-methyl-3-[methyl-[(5-methyl-2-pyridinyl)carbamoyl]amino]propanoic acid
CID 122089410
3-[(4-bromo-2-pyridinyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 122091610
3-[(2-tert-butylpyrazol-3-yl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 122090426
4-[(1-methylpyrazol-3-yl)carbamoyl-propan-2-ylamino]butanoic acid
CID 61205269
2-methyl-3-[methyl(pyrimidin-2-ylcarbamoyl)amino]propanoic acid
CID 55007752
3-[(2-benzyl-5-methylpyrazol-3-yl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 122075415
3-[[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122091236
2-methyl-3-[methyl-[[4-(triazol-1-yl)phenyl]carbamoyl]amino]propanoic acid
CID 122078901
3-[(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 122094838
2-[(2-amino-2-oxoethyl)-[(1-methylpyrazol-3-yl)carbamoyl]amino]acetic acid
CID 107438074
2-[(1-methylpyrazol-3-yl)carbamoyl-propylamino]acetic acid
CID 61203959

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-[(1-methylpyrazol-3-yl)carbamoyl]amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl-[(1-methylpyrazol-3-yl)carbamoyl]amino]propanoic acid (CID 55007522) is 2-methyl-3-[methyl-[(1-methylpyrazol-3-yl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl-[(1-methylpyrazol-3-yl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl-[(1-methylpyrazol-3-yl)carbamoyl]amino]propanoic acid is CC(CN(C)C(=O)Nc1ccn(C)n1)C(=O)O.
What is the InChIKey of 2-methyl-3-[methyl-[(1-methylpyrazol-3-yl)carbamoyl]amino]propanoic acid?
The InChIKey is BLMBRCUOAKOKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-7(9(15)16)6-13(2)10(17)11-8-4-5-14(3)12-8/h4-5,7H,6H2,1-3H3,(H,15,16)(H,11,12,17).
What are the key properties of 2-methyl-3-[methyl-[(1-methylpyrazol-3-yl)carbamoyl]amino]propanoic acid?
2-methyl-3-[methyl-[(1-methylpyrazol-3-yl)carbamoyl]amino]propanoic acid has a molecular weight of 240.26 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-[(1-methylpyrazol-3-yl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 55007522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).