2-(1-methylpyrazol-4-yl)-2-[(2-methylpyrrolidine-3-carbonyl)amino]acetic acid

C12H18N4O3 — CID 115288676

IUPAC2-(1-methylpyrazol-4-yl)-2-[(2-methylpyrrolidine-3-carbonyl)amino]acetic acid
SMILESCC1NCCC1C(=O)NC(C(=O)O)c1cnn(C)c1
InChIInChI=1S/C12H18N4O3/c1-7-9(3-4-13-7)11(17)15-10(12(18)19)8-5-14-16(2)6-8/h5-7,9-10,13H,3-4H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyLEBLRHXURSPNBS-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.34
Rot. Bonds4

About 2-(1-methylpyrazol-4-yl)-2-[(2-methylpyrrolidine-3-carbonyl)amino]acetic acid

2-(1-methylpyrazol-4-yl)-2-[(2-methylpyrrolidine-3-carbonyl)amino]acetic acid (PubChem CID 115288676) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-2-[(2-methylpyrrolidine-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-2-[(2-methylpyrrolidine-3-carbonyl)amino]acetic acid
PubChem CID115288676
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name2-(1-methylpyrazol-4-yl)-2-[(2-methylpyrrolidine-3-carbonyl)amino]acetic acid
SMILESCC1NCCC1C(=O)NC(C(=O)O)c1cnn(C)c1
InChIInChI=1S/C12H18N4O3/c1-7-9(3-4-13-7)11(17)15-10(12(18)19)8-5-14-16(2)6-8/h5-7,9-10,13H,3-4H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyLEBLRHXURSPNBS-UHFFFAOYSA-N
XLogP-0.34
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-aminocyclohexanecarbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288703
2-(1-methylpyrazol-4-yl)-2-(morpholine-3-carbonylamino)acetic acid
CID 115288804
2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288760
2-(1-methylpyrazol-4-yl)-2-(prop-2-enoylamino)acetic acid
CID 115287988
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-[[(2S)-2-aminobutanoyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 113279603
2-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288710
2-(1-methylpyrazol-4-yl)-2-[(1-methylpyrazol-4-yl)methylcarbamoylamino]acetic acid
CID 115289250
2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 103930364
2-[(4-ethylpiperidine-4-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288700
2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115289264

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-2-[(2-methylpyrrolidine-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-2-[(2-methylpyrrolidine-3-carbonyl)amino]acetic acid (CID 115288676) is 2-(1-methylpyrazol-4-yl)-2-[(2-methylpyrrolidine-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-2-[(2-methylpyrrolidine-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-2-[(2-methylpyrrolidine-3-carbonyl)amino]acetic acid is CC1NCCC1C(=O)NC(C(=O)O)c1cnn(C)c1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-2-[(2-methylpyrrolidine-3-carbonyl)amino]acetic acid?
The InChIKey is LEBLRHXURSPNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-7-9(3-4-13-7)11(17)15-10(12(18)19)8-5-14-16(2)6-8/h5-7,9-10,13H,3-4H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 2-(1-methylpyrazol-4-yl)-2-[(2-methylpyrrolidine-3-carbonyl)amino]acetic acid?
2-(1-methylpyrazol-4-yl)-2-[(2-methylpyrrolidine-3-carbonyl)amino]acetic acid has a molecular weight of 266.30 g/mol, XLogP of -0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-2-[(2-methylpyrrolidine-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 115288676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).