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

C11H16N4O4 — CID 115288760

IUPAC2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
SMILESCn1cc(C(NC(=O)C2CC(O)CN2)C(=O)O)cn1
InChIInChI=1S/C11H16N4O4/c1-15-5-6(3-13-15)9(11(18)19)14-10(17)8-2-7(16)4-12-8/h3,5,7-9,12,16H,2,4H2,1H3,(H,14,17)(H,18,19)
InChIKeyOSGDQZWNYOLVDW-UHFFFAOYSA-N
MW268.27 g/mol
LogP-1.62
Rot. Bonds4

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

2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid (PubChem CID 115288760) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
PubChem CID115288760
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
SMILESCn1cc(C(NC(=O)C2CC(O)CN2)C(=O)O)cn1
InChIInChI=1S/C11H16N4O4/c1-15-5-6(3-13-15)9(11(18)19)14-10(17)8-2-7(16)4-12-8/h3,5,7-9,12,16H,2,4H2,1H3,(H,14,17)(H,18,19)
InChIKeyOSGDQZWNYOLVDW-UHFFFAOYSA-N
XLogP-1.62
TPSA116.48 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-1.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid?
The IUPAC name of 2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid (CID 115288760) is 2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid?
The canonical SMILES for 2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid is Cn1cc(C(NC(=O)C2CC(O)CN2)C(=O)O)cn1.
What is the InChIKey of 2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid?
The InChIKey is OSGDQZWNYOLVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c1-15-5-6(3-13-15)9(11(18)19)14-10(17)8-2-7(16)4-12-8/h3,5,7-9,12,16H,2,4H2,1H3,(H,14,17)(H,18,19).
What are the key properties of 2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid?
2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid has a molecular weight of 268.27 g/mol, XLogP of -1.62, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid is sourced from PubChem (CID 115288760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).