4-[(1-methylpyrazol-3-yl)methylcarbamoylamino]-4-oxobutanoic acid

C10H14N4O4 — CID 82873391

IUPAC4-[(1-methylpyrazol-3-yl)methylcarbamoylamino]-4-oxobutanoic acid
SMILESCn1ccc(CNC(=O)NC(=O)CCC(=O)O)n1
InChIInChI=1S/C10H14N4O4/c1-14-5-4-7(13-14)6-11-10(18)12-8(15)2-3-9(16)17/h4-5H,2-3,6H2,1H3,(H,16,17)(H2,11,12,15,18)
InChIKeyIOJCLVXSKMRRRB-UHFFFAOYSA-N
MW254.25 g/mol
LogP-0.39
Rot. Bonds5

About 4-[(1-methylpyrazol-3-yl)methylcarbamoylamino]-4-oxobutanoic acid

4-[(1-methylpyrazol-3-yl)methylcarbamoylamino]-4-oxobutanoic acid (PubChem CID 82873391) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is 4-[(1-methylpyrazol-3-yl)methylcarbamoylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(1-methylpyrazol-3-yl)methylcarbamoylamino]-4-oxobutanoic acid
PubChem CID82873391
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name4-[(1-methylpyrazol-3-yl)methylcarbamoylamino]-4-oxobutanoic acid
SMILESCn1ccc(CNC(=O)NC(=O)CCC(=O)O)n1
InChIInChI=1S/C10H14N4O4/c1-14-5-4-7(13-14)6-11-10(18)12-8(15)2-3-9(16)17/h4-5H,2-3,6H2,1H3,(H,16,17)(H2,11,12,15,18)
InChIKeyIOJCLVXSKMRRRB-UHFFFAOYSA-N
XLogP-0.39
TPSA113.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[(1-methylpyrazol-3-yl)methylcarbamoyl]propanamide
CID 82873706
2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]butanedioic acid
CID 82874207
4-[methyl-[(1-methylpyrazol-3-yl)methylcarbamoyl]amino]butanoic acid
CID 82872604
6-[(1-methylpyrazol-3-yl)methylamino]hexanoic acid
CID 82882592
1-amino-N-[(1-methylpyrazol-3-yl)methyl]cyclobutane-1-carboxamide
CID 82873363
(2S)-2-hydroxy-4-[(1-methylpyrazol-3-yl)methylcarbamoylamino]butanoic acid
CID 114007684
2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide
CID 82874484
2-methyl-3-[(1-methylpyrazol-3-yl)methylamino]-3-oxopropanoic acid
CID 114898886
5-[2-(1-methylpyrazol-3-yl)ethylamino]-5-oxopentanoic acid
CID 104630849
6-[(1-methylpyrazol-3-yl)carbamoylamino]-6-oxohexanoic acid
CID 60809333
(2R)-4-methyl-2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]pentanoic acid
CID 82874077
4-methyl-2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]pentanoic acid
CID 82867015

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylpyrazol-3-yl)methylcarbamoylamino]-4-oxobutanoic acid?
The IUPAC name of 4-[(1-methylpyrazol-3-yl)methylcarbamoylamino]-4-oxobutanoic acid (CID 82873391) is 4-[(1-methylpyrazol-3-yl)methylcarbamoylamino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[(1-methylpyrazol-3-yl)methylcarbamoylamino]-4-oxobutanoic acid?
The canonical SMILES for 4-[(1-methylpyrazol-3-yl)methylcarbamoylamino]-4-oxobutanoic acid is Cn1ccc(CNC(=O)NC(=O)CCC(=O)O)n1.
What is the InChIKey of 4-[(1-methylpyrazol-3-yl)methylcarbamoylamino]-4-oxobutanoic acid?
The InChIKey is IOJCLVXSKMRRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4/c1-14-5-4-7(13-14)6-11-10(18)12-8(15)2-3-9(16)17/h4-5H,2-3,6H2,1H3,(H,16,17)(H2,11,12,15,18).
What are the key properties of 4-[(1-methylpyrazol-3-yl)methylcarbamoylamino]-4-oxobutanoic acid?
4-[(1-methylpyrazol-3-yl)methylcarbamoylamino]-4-oxobutanoic acid has a molecular weight of 254.25 g/mol, XLogP of -0.39, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylpyrazol-3-yl)methylcarbamoylamino]-4-oxobutanoic acid is sourced from PubChem (CID 82873391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).