3-[[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]carbamoyl-methylamino]-2-methylpropanoic acid

C17H25N5O4 — CID 122013807

IUPAC3-[[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]carbamoyl-methylamino]-2-methylpropanoic acid
SMILESCC(CN(C)C(=O)N[C@@H]1CC(=O)N(C2CC2)[C@H]1c1ccnn1C)C(=O)O
InChIInChI=1S/C17H25N5O4/c1-10(16(24)25)9-20(2)17(26)19-12-8-14(23)22(11-4-5-11)15(12)13-6-7-18-21(13)3/h6-7,10-12,15H,4-5,8-9H2,1-3H3,(H,19,26)(H,24,25)/t10?,12-,15-/m1/s1
InChIKeyAODZUUIPVGRJIM-QOBVVAFRSA-N
MW363.42 g/mol
LogP0.59
Rot. Bonds6

About 3-[[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]carbamoyl-methylamino]-2-methylpropanoic acid

3-[[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]carbamoyl-methylamino]-2-methylpropanoic acid (PubChem CID 122013807) has the molecular formula C17H25N5O4 and a molecular weight of 363.42 g/mol. Its IUPAC name is 3-[[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]carbamoyl-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]carbamoyl-methylamino]-2-methylpropanoic acid
PubChem CID122013807
Molecular FormulaC17H25N5O4
Molecular Weight363.42 g/mol
Exact Mass363.19
IUPAC Name3-[[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]carbamoyl-methylamino]-2-methylpropanoic acid
SMILESCC(CN(C)C(=O)N[C@@H]1CC(=O)N(C2CC2)[C@H]1c1ccnn1C)C(=O)O
InChIInChI=1S/C17H25N5O4/c1-10(16(24)25)9-20(2)17(26)19-12-8-14(23)22(11-4-5-11)15(12)13-6-7-18-21(13)3/h6-7,10-12,15H,4-5,8-9H2,1-3H3,(H,19,26)(H,24,25)/t10?,12-,15-/m1/s1
InChIKeyAODZUUIPVGRJIM-QOBVVAFRSA-N
XLogP0.59
TPSA107.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]carbamoyl-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]carbamoyl-methylamino]-2-methylpropanoic acid (CID 122013807) is 3-[[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]carbamoyl-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]carbamoyl-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]carbamoyl-methylamino]-2-methylpropanoic acid is CC(CN(C)C(=O)N[C@@H]1CC(=O)N(C2CC2)[C@H]1c1ccnn1C)C(=O)O.
What is the InChIKey of 3-[[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]carbamoyl-methylamino]-2-methylpropanoic acid?
The InChIKey is AODZUUIPVGRJIM-QOBVVAFRSA-N. The full InChI is InChI=1S/C17H25N5O4/c1-10(16(24)25)9-20(2)17(26)19-12-8-14(23)22(11-4-5-11)15(12)13-6-7-18-21(13)3/h6-7,10-12,15H,4-5,8-9H2,1-3H3,(H,19,26)(H,24,25)/t10?,12-,15-/m1/s1.
What are the key properties of 3-[[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]carbamoyl-methylamino]-2-methylpropanoic acid?
3-[[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]carbamoyl-methylamino]-2-methylpropanoic acid has a molecular weight of 363.42 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]carbamoyl-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 122013807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).