2-(1-methylpyrazol-4-yl)-2-[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]acetic acid

C14H22N4O3 — CID 115289355

IUPAC2-(1-methylpyrazol-4-yl)-2-[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]acetic acid
SMILESCC(C)C1CCCN1C(=O)NC(C(=O)O)c1cnn(C)c1
InChIInChI=1S/C14H22N4O3/c1-9(2)11-5-4-6-18(11)14(21)16-12(13(19)20)10-7-15-17(3)8-10/h7-9,11-12H,4-6H2,1-3H3,(H,16,21)(H,19,20)
InChIKeyYDTYSIBTRFUQFG-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.38
Rot. Bonds4

About 2-(1-methylpyrazol-4-yl)-2-[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]acetic acid

2-(1-methylpyrazol-4-yl)-2-[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]acetic acid (PubChem CID 115289355) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-2-[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-2-[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]acetic acid
PubChem CID115289355
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name2-(1-methylpyrazol-4-yl)-2-[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]acetic acid
SMILESCC(C)C1CCCN1C(=O)NC(C(=O)O)c1cnn(C)c1
InChIInChI=1S/C14H22N4O3/c1-9(2)11-5-4-6-18(11)14(21)16-12(13(19)20)10-7-15-17(3)8-10/h7-9,11-12H,4-6H2,1-3H3,(H,16,21)(H,19,20)
InChIKeyYDTYSIBTRFUQFG-UHFFFAOYSA-N
XLogP1.38
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115289133
2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115289264
2-(1-methylpyrazol-4-yl)-2-(piperidine-1-carbonylamino)acetic acid
CID 113279547
2-(2,3-dimethylbutanoylamino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288233
2-[[(2R)-2-aminopropanoyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288761
2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115289282
2-[(4-methyl-1,4-diazepane-1-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115289027
(2S)-2-(hydroxymethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-1-carboxamide
CID 111507028
2-(1,4-diazepane-1-carbonylamino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 115289155
2-(butan-2-ylcarbamoylamino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 113279679
2-[(4-ethylpiperazine-1-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115289072
2-[(2-aminocyclohexanecarbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288703

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-2-[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]acetic acid?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-2-[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]acetic acid (CID 115289355) is 2-(1-methylpyrazol-4-yl)-2-[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-2-[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]acetic acid?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-2-[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]acetic acid is CC(C)C1CCCN1C(=O)NC(C(=O)O)c1cnn(C)c1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-2-[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]acetic acid?
The InChIKey is YDTYSIBTRFUQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-9(2)11-5-4-6-18(11)14(21)16-12(13(19)20)10-7-15-17(3)8-10/h7-9,11-12H,4-6H2,1-3H3,(H,16,21)(H,19,20).
What are the key properties of 2-(1-methylpyrazol-4-yl)-2-[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]acetic acid?
2-(1-methylpyrazol-4-yl)-2-[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]acetic acid has a molecular weight of 294.35 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-2-[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]acetic acid is sourced from PubChem (CID 115289355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).