4,4-dimethyl-2-[[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]methyl]pentanoic acid

C14H24N4O3 — CID 106215800

IUPAC4,4-dimethyl-2-[[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]methyl]pentanoic acid
SMILESCC(NC(=O)NCC(CC(C)(C)C)C(=O)O)c1cn[nH]c1
InChIInChI=1S/C14H24N4O3/c1-9(11-7-16-17-8-11)18-13(21)15-6-10(12(19)20)5-14(2,3)4/h7-10H,5-6H2,1-4H3,(H,16,17)(H,19,20)(H2,15,18,21)
InChIKeyMEQZWUBFJJQBDA-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.91
Rot. Bonds6

About 4,4-dimethyl-2-[[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]methyl]pentanoic acid

4,4-dimethyl-2-[[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]methyl]pentanoic acid (PubChem CID 106215800) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4,4-dimethyl-2-[[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]methyl]pentanoic acid.

Molecular Properties

Compound Name4,4-dimethyl-2-[[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]methyl]pentanoic acid
PubChem CID106215800
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Name4,4-dimethyl-2-[[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]methyl]pentanoic acid
SMILESCC(NC(=O)NCC(CC(C)(C)C)C(=O)O)c1cn[nH]c1
InChIInChI=1S/C14H24N4O3/c1-9(11-7-16-17-8-11)18-13(21)15-6-10(12(19)20)5-14(2,3)4/h7-10H,5-6H2,1-4H3,(H,16,17)(H,19,20)(H2,15,18,21)
InChIKeyMEQZWUBFJJQBDA-UHFFFAOYSA-N
XLogP1.91
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 4,4-dimethyl-2-[[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]methyl]pentanoic acid with MolForge

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Related Compounds

3-methoxy-4-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]butanoic acid
CID 106215570
2-[[1-(1H-imidazol-2-yl)ethylcarbamoylamino]methyl]-4,4-dimethylpentanoic acid
CID 107474702
4,4-dimethyl-2-[[1-(1,3-thiazol-2-yl)ethylcarbamoylamino]methyl]pentanoic acid
CID 107474465
5-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]pentanoic acid
CID 106215666
3-hydroxy-2-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]butanoic acid
CID 114159367
2-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]pentanoic acid
CID 113364525
4-methyl-6-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]hexanoic acid
CID 106215523
3-amino-3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]butanamide
CID 106212730
3-chloro-2-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 106211094
2-[[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]methyl]butanoic acid
CID 106283453
3-methyl-3-phenyl-N,N'-bis[1-(1H-pyrazol-4-yl)ethyl]pentanediamide
CID 166185847
2-[(3-ethylpentan-2-ylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid
CID 107474413

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]methyl]pentanoic acid?
The IUPAC name of 4,4-dimethyl-2-[[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]methyl]pentanoic acid (CID 106215800) is 4,4-dimethyl-2-[[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]methyl]pentanoic acid.
What is the SMILES notation for 4,4-dimethyl-2-[[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]methyl]pentanoic acid?
The canonical SMILES for 4,4-dimethyl-2-[[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]methyl]pentanoic acid is CC(NC(=O)NCC(CC(C)(C)C)C(=O)O)c1cn[nH]c1.
What is the InChIKey of 4,4-dimethyl-2-[[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]methyl]pentanoic acid?
The InChIKey is MEQZWUBFJJQBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-9(11-7-16-17-8-11)18-13(21)15-6-10(12(19)20)5-14(2,3)4/h7-10H,5-6H2,1-4H3,(H,16,17)(H,19,20)(H2,15,18,21).
What are the key properties of 4,4-dimethyl-2-[[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]methyl]pentanoic acid?
4,4-dimethyl-2-[[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]methyl]pentanoic acid has a molecular weight of 296.37 g/mol, XLogP of 1.91, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]methyl]pentanoic acid is sourced from PubChem (CID 106215800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).