2-methyl-4-[(1-methylpyrazol-3-yl)carbamoylamino]butanoic acid

C10H16N4O3 — CID 80540855

IUPAC2-methyl-4-[(1-methylpyrazol-3-yl)carbamoylamino]butanoic acid
SMILESCC(CCNC(=O)Nc1ccn(C)n1)C(=O)O
InChIInChI=1S/C10H16N4O3/c1-7(9(15)16)3-5-11-10(17)12-8-4-6-14(2)13-8/h4,6-7H,3,5H2,1-2H3,(H,15,16)(H2,11,12,13,17)
InChIKeyNPDPIVOKSDTRGC-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.65
Rot. Bonds5

About 2-methyl-4-[(1-methylpyrazol-3-yl)carbamoylamino]butanoic acid

2-methyl-4-[(1-methylpyrazol-3-yl)carbamoylamino]butanoic acid (PubChem CID 80540855) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-methyl-4-[(1-methylpyrazol-3-yl)carbamoylamino]butanoic acid.

Molecular Properties

Compound Name2-methyl-4-[(1-methylpyrazol-3-yl)carbamoylamino]butanoic acid
PubChem CID80540855
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name2-methyl-4-[(1-methylpyrazol-3-yl)carbamoylamino]butanoic acid
SMILESCC(CCNC(=O)Nc1ccn(C)n1)C(=O)O
InChIInChI=1S/C10H16N4O3/c1-7(9(15)16)3-5-11-10(17)12-8-4-6-14(2)13-8/h4,6-7H,3,5H2,1-2H3,(H,15,16)(H2,11,12,13,17)
InChIKeyNPDPIVOKSDTRGC-UHFFFAOYSA-N
XLogP0.65
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-hydroxy-3-phenylpropyl)-3-(1-methylpyrazol-3-yl)urea
CID 111578993
2-methyl-3-[methyl-[(1-methylpyrazol-3-yl)carbamoyl]amino]propanoic acid
CID 55007522
(2S)-4-amino-2-[(1-methylpyrazol-3-yl)carbamoylamino]-4-oxobutanoic acid
CID 63717738
1-[3-(N-methylanilino)propyl]-3-(1-methylpyrazol-3-yl)urea
CID 60616962
(2R)-2-[(1-methylpyrazol-3-yl)carbamoylamino]-3-phenylpropanoic acid
CID 104902353
1-(1-methylpyrazol-3-yl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 60617048
1-(2-hydroxy-2-propylpentyl)-3-(1-methylpyrazol-3-yl)urea
CID 111437689
1-[1-(hydroxymethyl)cyclopentyl]-3-(1-methylpyrazol-3-yl)urea
CID 111926215
2-[2-[(1-methylpyrazol-3-yl)carbamoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374301
(2R)-2-[(1-methylpyrazol-3-yl)carbamoylamino]-2-phenylacetic acid
CID 61206380
2-methyl-2-[(1-methylpyrazol-3-yl)carbamoylamino]butanoic acid
CID 79801340
1-[2-(4-chlorophenoxy)propyl]-3-(1-methylpyrazol-3-yl)urea
CID 71992450

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(1-methylpyrazol-3-yl)carbamoylamino]butanoic acid?
The IUPAC name of 2-methyl-4-[(1-methylpyrazol-3-yl)carbamoylamino]butanoic acid (CID 80540855) is 2-methyl-4-[(1-methylpyrazol-3-yl)carbamoylamino]butanoic acid.
What is the SMILES notation for 2-methyl-4-[(1-methylpyrazol-3-yl)carbamoylamino]butanoic acid?
The canonical SMILES for 2-methyl-4-[(1-methylpyrazol-3-yl)carbamoylamino]butanoic acid is CC(CCNC(=O)Nc1ccn(C)n1)C(=O)O.
What is the InChIKey of 2-methyl-4-[(1-methylpyrazol-3-yl)carbamoylamino]butanoic acid?
The InChIKey is NPDPIVOKSDTRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-7(9(15)16)3-5-11-10(17)12-8-4-6-14(2)13-8/h4,6-7H,3,5H2,1-2H3,(H,15,16)(H2,11,12,13,17).
What are the key properties of 2-methyl-4-[(1-methylpyrazol-3-yl)carbamoylamino]butanoic acid?
2-methyl-4-[(1-methylpyrazol-3-yl)carbamoylamino]butanoic acid has a molecular weight of 240.26 g/mol, XLogP of 0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(1-methylpyrazol-3-yl)carbamoylamino]butanoic acid is sourced from PubChem (CID 80540855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).